data_6y94_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6y94 _Structure_validation_residue.Date_analyzed 2020-04-24 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 ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 C--O 1.234 0.256 0 N-CA-C 111.728 0.27 . . . . 25.0 111.728 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -75.14 -38.73 60.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.157 -0.312 . . . . 50.0 110.157 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.29 -38.56 68.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.321 -0.622 . . . . 50.0 109.321 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.48 -30.09 70.39 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.278 -0.264 . . . . 25.0 110.354 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -67.11 -45.71 76.36 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 122.001 -0.437 . . . . 50.0 109.969 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.7 m -67.77 -25.71 65.75 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.894 0.378 . . . . 50.0 111.829 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.61 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.208 -0.933 . . . . 50.0 109.749 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -38.95 18.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 50.0 110.98 177.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -87.05 93.87 9.48 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.533 0.683 . . . . 50.0 111.082 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -71.71 -17.66 62.21 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.182 0.808 . . . . 75.0 113.182 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -86.88 -28.17 22.98 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.441 0.638 . . . . 75.0 109.356 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.21 17.99 79.7 Favored Glycine 0 C--O 1.227 -0.342 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.73 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.04 -6.88 58.57 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.202 0.816 . . . . 50.0 113.202 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.58 7.27 54.03 Favored Glycine 0 C--O 1.239 0.413 0 C-N-CA 121.213 -0.518 . . . . 50.0 114.053 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.07 155.75 50.21 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.6 mt -118.43 128.01 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 105.957 -1.868 . . . . 50.0 105.957 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.503 ' HG1' ' H ' ' A' ' 31' ' ' GLU . 75.1 p -106.83 170.17 8.1 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -62.38 -27.22 68.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.511 -0.743 . . . . 25.0 110.959 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -65.35 -39.79 92.79 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 121.295 -0.878 . . . . 50.0 109.805 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.503 ' H ' ' HG1' ' A' ' 28' ' ' THR . 32.7 mt-10 -74.52 -33.52 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.921 -0.4 . . . . 50.0 109.921 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -47.17 87.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.408 -0.96 . . . . 50.0 108.408 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.24 -30.78 77.39 Favored Glycine 0 CA--C 1.511 -0.209 0 CA-C-N 115.737 -0.665 . . . . 50.0 113.711 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.2 m -64.68 -46.4 82.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.1 -41.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.974 -0.38 . . . . 50.0 109.974 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.5 mmt -57.92 -50.03 74.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -72.82 -17.55 61.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.817 -0.552 . . . . 50.0 112.09 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -23.81 58.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.506 -0.553 . . . . 50.0 109.506 173.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -91.08 -0.17 57.67 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.97 -0.559 . . . . 50.0 109.63 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.14 1.81 88.33 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 121.249 -0.501 . . . . 50.0 113.598 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -82.46 133.48 35.21 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.836 -0.802 . . . . 50.0 110.995 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -120.98 57.31 6.04 Favored Pre-proline 0 CA--C 1.561 1.397 0 N-CA-C 114.667 1.358 . . . . 50.0 114.667 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -74.59 172.79 15.49 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 117.437 -1.242 . . . . 50.0 111.497 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -75.59 162.71 28.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 25.0 109.862 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.01 -31.52 72.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.062 0.458 . . . . 25.0 110.097 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.5 77.27 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.052 -0.405 . . . . 25.0 110.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -65.16 -41.74 94.42 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.281 -0.636 . . . . 50.0 109.281 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.18 -32.55 74.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.067 -0.396 . . . . 50.0 111.09 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -70.31 -42.77 71.55 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.445 -0.502 . . . . 50.0 111.229 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -31.32 71.65 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 122.189 -0.319 . . . . 50.0 110.727 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.2 mtp -64.54 -25.34 67.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.815 -0.553 . . . . 50.0 111.085 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.06 -47.7 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.548 -0.908 . . . . 50.0 108.548 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.37 -30.31 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.189 0.596 . . . . 50.0 111.531 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -29.49 41.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.924 0.489 . . . . 50.0 112.196 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.93 -29.53 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.035 0.383 . . . . 50.0 112.035 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.2 53.14 1.69 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.888 0.852 . . . . 50.0 112.227 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.48 66.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.091 -0.959 . . . . 25.0 110.833 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.68 -17.06 56.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 122.766 0.427 . . . . 50.0 111.734 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.06 12.9 84.22 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 117.649 1.82 . . . . 50.0 117.649 173.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -3.36 48.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 119.617 1.709 . . . . 50.0 113.555 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.74 -2.91 77.45 Favored Glycine 0 C--O 1.24 0.501 0 N-CA-C 115.935 1.134 . . . . 50.0 115.935 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.6 p -136.87 163.52 30.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 119.076 1.438 . . . . 25.0 112.835 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -104.97 108.74 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 104.836 -2.283 . . . . 50.0 104.836 173.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -87.28 177.98 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -55.54 -43.67 99.26 Favored Pre-proline 0 CA--C 1.559 1.296 0 N-CA-C 115.448 1.647 . . . . 50.0 115.448 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -64.87 -28.81 58.64 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 114.497 -3.202 . . . . 50.0 113.675 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.47 -24.3 56.92 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 110.012 -0.366 . . . . 50.0 110.012 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.75 -37.04 76.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.834 -1.173 . . . . 50.0 107.834 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.14 -37.3 86.98 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.863 -0.791 . . . . 50.0 108.863 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -67.0 -36.48 82.26 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.609 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 C--O 1.22 -0.481 0 O-C-N 121.901 -0.499 . . . . 50.0 109.89 179.154 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.2 mt . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 108.263 -1.014 . . . . 50.0 108.263 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -66.32 -39.77 89.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.605 -0.27 . . . . 50.0 110.663 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.32 -47.98 77.33 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.585 -0.446 . . . . 50.0 110.711 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.77 83.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.056 0.455 . . . . 25.0 110.358 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -61.84 -45.04 95.51 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -71.65 -17.23 62.26 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.96 -41.01 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.192 -1.04 . . . . 50.0 108.192 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -83.32 -40.53 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.962 -0.461 . . . . 25.0 112.123 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -80.07 79.95 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.42 1.105 . . . . 50.0 109.562 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -70.96 -29.45 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.389 1.255 . . . . 50.0 114.389 -172.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -93.31 -8.2 42.71 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.413 0.551 . . . . 25.0 112.02 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.48 20.02 77.36 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 116.925 1.53 . . . . 25.0 116.925 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -84.41 4.45 31.46 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.863 1.801 . . . . 50.0 115.863 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.77 4.62 67.3 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.824 -0.703 . . . . 50.0 114.708 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -136.76 143.54 43.29 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -101.52 111.1 30.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.602 -1.629 . . . . 50.0 106.602 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 p -82.37 159.74 22.96 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.696 -1.224 . . . . 50.0 107.696 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.61 72.08 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.72 85.21 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.077 0.465 . . . . 25.0 111.729 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.95 -40.86 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.977 -0.379 . . . . 50.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -42.79 97.07 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.025 -0.731 . . . . 50.0 109.025 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -62.75 -31.15 72.04 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 116.376 -0.375 . . . . 50.0 111.28 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -63.14 -45.03 93.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.58 -0.848 . . . . 50.0 108.957 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.57 -44.3 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -39.55 94.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.049 0.388 . . . . 50.0 112.049 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.67 -39.04 93.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.233 0.54 . . . . 25.0 109.603 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.56 -24.07 61.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.431 -0.349 . . . . 25.0 111.495 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.95 -21.03 44.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.903 0.382 . . . . 75.0 110.965 176.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.95 7.1 53.44 Favored Glycine 0 C--O 1.238 0.388 0 CA-C-N 115.571 -0.741 . . . . 50.0 112.584 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.35 138.16 57.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.702 -0.851 . . . . 50.0 108.702 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -121.35 63.98 0.89 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 122.165 0.983 . . . . 50.0 109.662 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.09 161.11 14.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.767 -1.56 . . . . 50.0 109.247 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 168.99 12.99 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.28 -30.25 71.09 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 120.534 -0.466 . . . . 50.0 109.787 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.49 -32.73 70.36 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 122.699 0.4 . . . . 75.0 111.102 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.19 -33.07 65.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.109 -0.7 . . . . 50.0 109.109 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.86 -36.86 59.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.978 0 N-CA-C 108.639 -0.874 . . . . 50.0 108.639 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -62.41 -44.25 96.87 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.985 -0.746 . . . . 50.0 108.985 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -58.63 -39.47 80.61 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.401 -0.812 . . . . 25.0 112.239 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 42.3 ttm -65.67 -41.55 92.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.616 0.722 . . . . 75.0 111.655 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -69.82 -34.36 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.012 -0.54 . . . . 50.0 109.803 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -58.15 -29.71 65.78 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.691 0.997 . . . . 50.0 113.691 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.87 -23.86 66.06 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.383 0.611 . . . . 50.0 111.575 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.65 -20.58 13.42 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.168 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.01 76.65 8.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.027 0.751 . . . . 50.0 113.027 -172.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.8 -41.99 88.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 50.0 111.59 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.33 -8.99 58.19 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.0 19.6 67.0 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 116.575 1.39 . . . . 50.0 116.575 174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.72 2.52 54.72 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.437 1.643 . . . . 50.0 115.437 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.9 9.05 86.77 Favored Glycine 0 C--O 1.241 0.547 0 C-N-CA 121.245 -0.503 . . . . 50.0 114.197 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -133.94 167.75 20.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.18 116.02 49.05 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 N-CA-C 107.599 -1.26 . . . . 50.0 107.599 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.08 168.32 20.26 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -60.76 -43.98 97.32 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 118.493 0.588 . . . . 50.0 111.391 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.1 -39.37 93.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.827 0.822 . . . . 50.0 110.874 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.17 -28.91 67.69 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.882 -0.599 . . . . 50.0 111.164 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.49 -32.66 72.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.107 -0.331 . . . . 50.0 110.107 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.77 -41.35 90.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.87 -1.159 . . . . 50.0 107.87 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -66.31 -40.7 90.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.933 -0.48 . . . . 50.0 110.678 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.9 ttt -60.08 -42.16 94.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.13 -0.356 . . . . 50.0 111.173 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.1 ttm . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.125 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--O 1.218 -0.584 0 CA-C-O 120.526 0.203 . . . . 25.0 110.682 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -69.22 -40.45 77.96 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.255 -0.278 . . . . 50.0 110.396 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -68.61 -39.36 80.88 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.331 -0.548 . . . . 50.0 109.936 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.65 -34.72 78.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.681 0.277 . . . . 25.0 110.714 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -69.5 -43.94 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.888 -0.412 . . . . 50.0 109.888 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.4 t -65.92 -20.56 66.26 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.062 0.458 . . . . 50.0 111.62 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.48 -38.59 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.366 -0.976 . . . . 50.0 108.366 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -89.08 -40.99 12.57 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.53 89.39 3.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.953 0.882 . . . . 50.0 110.722 -178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -76.15 -20.32 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.676 1.732 . . . . 75.0 115.676 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -108.5 -5.45 16.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.346 0.869 . . . . 75.0 113.346 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.63 19.99 77.17 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 116.183 1.233 . . . . 25.0 116.183 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -81.91 0.22 40.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.639 0.978 . . . . 50.0 113.639 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 3.66 71.92 Favored Glycine 0 CA--C 1.519 0.318 0 N-CA-C 114.844 0.698 . . . . 50.0 114.844 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -133.4 156.76 47.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.329 0.565 . . . . 25.0 111.796 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -112.88 116.22 52.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.255 -1.387 . . . . 50.0 107.255 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.548 ' HG1' ' H ' ' A' ' 31' ' ' GLU . 38.5 p -91.9 166.54 12.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 p -60.82 -32.86 72.22 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -58.99 -44.12 91.55 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.853 0.835 . . . . 50.0 110.503 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.548 ' H ' ' HG1' ' A' ' 28' ' ' THR . 28.1 mt-10 -77.0 -35.81 56.85 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.864 -0.607 . . . . 50.0 111.854 -175.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.62 -45.79 92.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.27 76.67 Favored Glycine 0 C--O 1.221 -0.678 0 CA-C-N 115.647 -0.706 . . . . 50.0 113.418 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.0 m -63.51 -40.55 97.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.601 0.7 . . . . 25.0 109.743 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.46 -43.33 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.82 -0.437 . . . . 50.0 109.82 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.65 -40.52 97.07 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 112.506 0.558 . . . . 50.0 112.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -74.08 -18.73 60.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.335 -0.853 . . . . 50.0 112.015 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -74.86 -20.49 59.72 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.781 -0.822 . . . . 50.0 108.781 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.27 9.35 34.27 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.527 -0.546 . . . . 50.0 109.527 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.74 4.04 90.32 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 115.011 0.764 . . . . 50.0 115.011 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -82.66 148.9 27.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.503 0.652 . . . . 50.0 110.892 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -123.04 66.61 30.87 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.226 -0.443 . . . . 50.0 110.841 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.1 163.11 39.75 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 117.897 -0.935 . . . . 50.0 112.031 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.2 p -80.72 165.27 22.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -63.47 -31.17 72.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.42 -41.57 80.18 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.539 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.55 -38.22 90.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.236 1.017 . . . . 50.0 109.924 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.33 -27.74 65.63 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.555 -0.716 . . . . 50.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.41 -48.22 29.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 119.59 -0.243 . . . . 50.0 111.196 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.16 -27.79 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.159 0.8 . . . . 50.0 113.159 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.7 mtt -67.91 -24.83 65.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.845 -0.535 . . . . 50.0 111.496 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -44.95 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.249 -0.648 . . . . 50.0 109.249 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.34 -30.59 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 117.714 0.233 . . . . 50.0 111.183 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.0 -30.31 46.77 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.496 0.925 . . . . 50.0 113.496 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -4.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -176.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.97 62.09 4.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.875 0.845 . . . . 50.0 111.8 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.2 68.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -92.11 -3.72 55.31 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.56 18.48 71.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.093 1.197 . . . . 50.0 116.093 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -84.05 -0.76 53.01 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.953 1.377 . . . . 50.0 114.652 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.15 0.84 80.02 Favored Glycine 0 C--O 1.239 0.413 0 N-CA-C 116.595 1.398 . . . . 50.0 116.595 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.2 p -135.31 159.58 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.949 0.874 . . . . 25.0 111.378 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -90.52 115.3 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 104.16 -2.533 . . . . 50.0 104.16 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -93.46 168.99 10.69 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 -177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.89 -48.21 92.31 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 115.467 1.654 . . . . 50.0 115.467 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.83 -23.53 22.24 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 113.726 -3.716 . . . . 50.0 114.296 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.88 -34.14 66.5 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -64.65 -39.75 94.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.339 0.59 . . . . 50.0 109.722 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.72 -37.59 86.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.417 -0.356 . . . . 50.0 110.072 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -66.4 -33.57 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.161 -0.337 . . . . 25.0 111.162 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.1 ttm . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 109.155 -0.683 . . . . 50.0 109.155 176.804 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 108.963 -0.754 . . . . 50.0 108.963 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -65.2 -39.43 92.81 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 122.054 -0.404 . . . . 50.0 111.382 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -70.03 -38.42 75.88 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.847 -0.341 . . . . 50.0 110.894 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.25 79.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.846 0.355 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.72 -38.85 79.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.59 0.234 . . . . 50.0 110.402 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -69.66 -15.05 63.11 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.666 1.358 . . . . 50.0 114.666 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.0 t -66.78 -35.92 75.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 107.067 -1.457 . . . . 50.0 107.067 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.03 -54.01 4.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.356 -0.838 . . . . 25.0 109.487 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -81.4 76.94 8.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.868 0.842 . . . . 50.0 110.34 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -71.39 -14.28 62.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 50.0 112.403 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -75.6 -25.42 56.97 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.3 76.91 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.431 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -91.57 2.02 56.74 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.21 1.189 . . . . 50.0 114.21 -174.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.44 5.69 65.0 Favored Glycine 0 C--O 1.235 0.176 0 N-CA-C 114.322 0.489 . . . . 50.0 114.322 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -140.28 133.88 30.21 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.95 0.375 . . . . 50.0 111.672 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -97.98 118.11 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 107.233 -1.395 . . . . 50.0 107.233 173.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.424 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 86.7 p -89.87 168.37 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.13 -0.322 . . . . 50.0 110.13 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.4 79.29 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.164 -0.335 . . . . 25.0 110.4 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.04 82.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.625 0.726 . . . . 25.0 111.229 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' H ' ' HG ' ' A' ' 101' ' ' SER . 21.8 mt-10 -75.42 -37.24 60.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.86 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.44 -43.72 84.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -58.85 -32.22 69.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 50.0 111.3 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -61.32 -45.72 93.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.988 -0.445 . . . . 50.0 110.12 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.47 -40.59 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 50.0 110.225 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -35.66 77.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.238 0.542 . . . . 50.0 112.134 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 m -63.04 -38.8 92.65 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -72.48 -26.13 61.68 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.19 -0.319 . . . . 25.0 111.457 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.31 -20.17 57.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.815 0.34 . . . . 75.0 110.442 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.47 16.85 51.75 Favored Glycine 0 C--O 1.238 0.394 0 CA-C-N 116.042 -0.526 . . . . 50.0 113.356 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -69.91 159.66 33.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.733 0.778 . . . . 50.0 112.114 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -129.6 56.91 1.69 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.273 -0.876 . . . . 50.0 111.398 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.61 162.59 12.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.317 -0.856 . . . . 50.0 108.844 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -88.21 166.52 14.3 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.95 -30.74 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.52 0.676 . . . . 50.0 109.663 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -66.59 -38.85 87.87 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.162 -0.927 . . . . 75.0 111.769 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.68 -37.05 81.8 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.372 0.606 . . . . 50.0 109.718 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.91 -34.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.51 -39.34 88.6 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.958 -0.464 . . . . 50.0 110.037 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.85 -33.85 76.98 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.941 -0.704 . . . . 25.0 110.911 174.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.1 mtp -67.32 -34.5 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.728 -0.607 . . . . 75.0 111.729 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.26 -38.82 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.857 -0.794 . . . . 50.0 108.857 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -61.07 -27.26 68.23 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.473 0.916 . . . . 50.0 113.473 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.03 -30.15 65.9 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.699 0.259 . . . . 50.0 111.699 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -112.34 -6.03 14.08 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -83.93 79.3 9.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.052 0.929 . . . . 50.0 111.503 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -41.25 87.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.138 -0.937 . . . . 50.0 112.193 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -11.0 52.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.517 1.302 . . . . 50.0 114.517 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.92 21.11 59.89 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 117.666 1.826 . . . . 50.0 117.666 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 -0.29 55.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.862 1.331 . . . . 50.0 114.483 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.89 6.75 75.5 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.454 -0.403 . . . . 50.0 113.938 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -139.86 171.44 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.674 -0.491 . . . . 50.0 109.674 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.15 117.27 50.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.341 -0.985 . . . . 50.0 108.341 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.83 167.79 20.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.286 -1.376 . . . . 50.0 107.286 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.28 -43.88 92.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.882 -0.511 . . . . 50.0 111.906 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -64.11 -41.14 97.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.347 0.594 . . . . 50.0 111.147 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.33 -35.59 81.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.588 -0.733 . . . . 50.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.62 -40.07 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.13 -0.357 . . . . 50.0 110.759 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.97 -38.69 78.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.05 -41.64 99.53 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.719 -0.613 . . . . 50.0 110.305 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.2 ttp -61.52 -36.38 80.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 50.0 110.498 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.601 0.238 . . . . 25.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.03 -34.68 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.97 -37.99 75.93 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.815 -0.754 . . . . 50.0 109.53 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.04 79.65 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.179 -0.325 . . . . 25.0 110.667 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -66.19 -43.14 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.199 -0.313 . . . . 50.0 110.234 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -65.5 -25.28 67.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.452 . . . . 50.0 111.348 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.66 -27.39 66.82 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.084 -0.385 . . . . 50.0 110.719 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -92.5 -32.19 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.546 0.339 . . . . 50.0 111.468 174.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -79.39 78.33 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.014 0.911 . . . . 50.0 109.33 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.78 -23.92 67.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.769 1.026 . . . . 75.0 113.769 -173.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -103.79 -8.45 19.79 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.742 1.016 . . . . 75.0 113.742 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.98 14.12 82.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 118.024 1.969 . . . . 25.0 118.024 174.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -82.41 1.06 39.16 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.294 1.59 . . . . 50.0 115.294 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.72 69.03 Favored Glycine 0 C--O 1.238 0.384 0 N-CA-C 115.279 0.872 . . . . 50.0 115.279 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.4 p -135.84 155.84 49.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.518 0.659 . . . . 25.0 110.003 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt -111.28 116.1 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.71 -1.219 . . . . 50.0 107.71 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -100.93 168.89 9.33 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.254 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -34.04 67.51 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.621 -0.675 . . . . 25.0 112.251 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 50.0 110.305 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.92 -40.04 63.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.138 -0.483 . . . . 50.0 110.995 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.84 -43.99 97.73 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.169 -0.678 . . . . 50.0 109.169 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.05 82.91 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 115.344 -0.844 . . . . 50.0 112.779 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.5 m -64.83 -45.0 88.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.22 -42.67 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 122.247 -0.283 . . . . 50.0 110.505 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -60.06 -43.0 95.74 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.721 -0.391 . . . . 50.0 111.377 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.19 -21.26 59.9 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.404 -0.81 . . . . 50.0 112.249 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -71.36 -28.12 63.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.79 7.64 26.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.891 -0.595 . . . . 50.0 110.378 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.47 87.89 Favored Glycine 0 C--O 1.225 -0.454 0 N-CA-C 114.668 0.627 . . . . 50.0 114.668 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -80.74 160.15 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.987 -0.714 . . . . 50.0 110.381 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.96 68.16 62.97 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -72.33 157.6 53.12 Favored 'Trans proline' 0 CA--C 1.512 -0.586 0 C-N-CA 117.294 -1.337 . . . . 50.0 113.217 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.6 p -81.77 163.98 22.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -68.61 -28.41 66.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.213 -0.929 . . . . 25.0 109.582 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.09 80.38 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.157 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -62.02 -44.06 97.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.117 0.96 . . . . 50.0 109.512 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.13 -30.04 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.574 . . . . 50.0 110.769 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -73.83 -44.91 54.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 118.988 -0.53 . . . . 50.0 111.344 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.12 -29.76 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.466 1.03 . . . . 50.0 111.648 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.0 mtp -64.72 -26.44 68.37 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.431 -0.508 . . . . 50.0 110.942 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.1 -47.92 16.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.542 -0.299 . . . . 50.0 110.274 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.24 -28.43 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 122.899 0.48 . . . . 50.0 111.806 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.98 -27.99 34.94 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.807 1.04 . . . . 50.0 113.807 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.37 -11.58 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 114.38 1.252 . . . . 50.0 114.38 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.54 51.86 1.75 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.16 64.18 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.097 0.475 . . . . 25.0 111.155 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -79.9 -19.28 48.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.738 0.815 . . . . 50.0 111.713 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 17.32 78.03 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 117.483 1.753 . . . . 50.0 117.483 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -4.25 58.79 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.917 1.359 . . . . 50.0 113.663 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.31 7.16 87.04 Favored Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.46 1.344 . . . . 50.0 116.46 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.4 p -137.14 154.2 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.738 0.769 . . . . 25.0 111.066 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.6 mt -87.19 114.55 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.347 -1.723 . . . . 50.0 106.347 173.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -87.89 173.14 9.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.843 -1.169 . . . . 50.0 107.843 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.27 -49.69 92.48 Favored Pre-proline 0 CA--C 1.559 1.312 0 N-CA-C 115.036 1.495 . . . . 50.0 115.036 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.4 -21.74 30.12 Favored 'Trans proline' 0 C--N 1.357 0.994 1 C-N-CA 112.34 -4.64 . . . . 50.0 113.397 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.02 -32.43 63.36 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.841 -0.537 . . . . 50.0 109.982 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -66.08 -40.83 91.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.508 -0.923 . . . . 50.0 108.508 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.18 -37.48 85.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.637 -0.71 . . . . 50.0 110.24 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -65.22 -41.13 94.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.303 0.573 . . . . 50.0 110.077 177.357 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -63.76 -41.27 98.02 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.211 -0.306 . . . . 50.0 110.731 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.99 -41.34 77.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.232 -0.587 . . . . 50.0 110.141 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.41 80.09 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.969 0.414 . . . . 25.0 111.834 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.22 -42.01 94.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.569 -0.53 . . . . 50.0 109.569 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -67.69 -21.4 65.33 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.752 1.019 . . . . 50.0 113.752 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.77 -41.58 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 108.885 -0.783 . . . . 50.0 108.885 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -80.47 -31.78 37.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.213 -0.304 . . . . 25.0 111.366 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.49 56.95 3.79 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.553 1.168 . . . . 50.0 109.223 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -64.06 -23.94 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 50.0 112.981 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -85.73 -7.42 58.79 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.22 0.464 . . . . 25.0 112.066 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.46 13.34 82.99 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 118.234 2.054 . . . . 25.0 118.234 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -87.62 1.67 53.03 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.549 1.675 . . . . 50.0 115.377 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.0 5.08 68.38 Favored Glycine 0 C--O 1.227 -0.311 0 N-CA-C 115.955 1.142 . . . . 50.0 115.955 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.11 152.2 45.93 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.748 -0.834 . . . . 50.0 108.748 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.9 mt -105.63 110.6 31.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 N-CA-C 107.57 -1.27 . . . . 50.0 107.57 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.0 p -85.38 163.34 18.6 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.577 -0.449 . . . . 50.0 109.798 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.89 77.51 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.229 0.538 . . . . 25.0 109.606 173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.92 -32.16 73.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.807 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -79.5 -41.32 27.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.667 -0.242 . . . . 50.0 110.736 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.2 -47.86 82.58 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.967 -0.693 . . . . 50.0 109.327 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -27.9 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.715 -0.394 . . . . 50.0 111.571 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -66.61 -47.18 73.47 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.486 -0.759 . . . . 50.0 109.77 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -41.3 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 50.0 110.019 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.8 -38.47 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.372 -0.205 . . . . 50.0 111.502 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.6 m -63.9 -37.29 86.86 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.114 -0.366 . . . . 25.0 110.117 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.39 -22.04 62.8 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.002 -0.436 . . . . 25.0 110.717 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 mt -87.2 -7.22 58.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 75.0 110.605 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.49 65.21 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 115.264 0.866 . . . . 50.0 115.264 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.27 160.17 31.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 50.0 111.675 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -127.24 49.15 2.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.178 0.513 . . . . 50.0 111.906 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.19 163.48 25.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.164 -0.925 . . . . 50.0 110.384 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 79.6 p -95.55 168.73 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -29.67 69.25 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.085 -0.646 . . . . 50.0 110.436 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.51 -33.13 62.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 119.77 -0.157 . . . . 75.0 111.408 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.23 -38.99 91.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.393 -0.966 . . . . 50.0 108.393 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.99 -42.7 77.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 50.0 109.639 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.8 -47.99 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.12 -34.07 77.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.587 -0.696 . . . . 25.0 112.64 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -70.31 -34.43 72.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.829 -0.544 . . . . 75.0 111.98 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.4 mm -67.13 -37.46 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.28 -1.007 . . . . 50.0 108.28 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.146 0.795 . . . . 50.0 113.146 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.92 -27.92 67.16 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.528 0.204 . . . . 50.0 111.299 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -109.05 -18.65 13.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -79.37 78.74 5.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.934 0.873 . . . . 50.0 113.11 -173.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.08 -42.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.117 -0.947 . . . . 50.0 111.719 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -85.38 -3.6 58.89 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.205 1.187 . . . . 50.0 114.205 -176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.02 20.77 79.68 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 117.189 1.636 . . . . 50.0 117.189 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.23 -0.1 56.19 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.133 1.531 . . . . 50.0 115.133 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.06 75.53 Favored Glycine 0 C--O 1.245 0.823 0 C-N-CA 121.079 -0.582 . . . . 50.0 113.112 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -138.44 168.43 19.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 50.0 109.775 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -103.79 120.65 54.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 107.716 -1.216 . . . . 50.0 107.716 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -81.94 169.62 16.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.534 -2.024 . . . . 50.0 105.534 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.18 -46.89 88.18 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.982 0.734 . . . . 50.0 112.982 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -61.79 -40.13 94.13 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.582 0.706 . . . . 50.0 111.255 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -35.29 80.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.224 -0.898 . . . . 50.0 111.478 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -67.18 -40.63 86.58 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.709 0.29 . . . . 50.0 110.376 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.6 -42.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.482 -0.932 . . . . 50.0 108.482 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -63.35 -42.22 98.89 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.536 -0.102 . . . . 50.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.3 ttt -60.4 -37.12 79.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.958 0.408 . . . . 50.0 111.126 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.2 ttm . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -179.223 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--O 1.216 -0.68 0 N-CA-C 111.362 0.134 . . . . 25.0 111.362 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -73.07 -42.25 63.25 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.047 -0.408 . . . . 50.0 110.353 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.87 -37.82 73.08 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.923 -0.769 . . . . 50.0 108.923 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.64 74.34 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.107 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -61.59 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.969 -0.752 . . . . 50.0 108.969 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.8 t -64.56 -33.54 76.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.281 0.562 . . . . 50.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -37.09 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 50.0 110.301 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -83.61 -35.76 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.835 0.68 . . . . 50.0 112.835 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.37 92.81 5.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.761 0.791 . . . . 50.0 110.796 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.09 -21.82 61.44 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 115.515 1.672 . . . . 75.0 115.515 -171.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -116.64 0.16 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.953 1.094 . . . . 75.0 113.953 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.0 24.56 75.71 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 115.463 0.945 . . . . 25.0 115.463 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -83.0 -5.36 59.07 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.98 74.84 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 114.572 0.589 . . . . 50.0 114.572 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.1 p -137.43 154.06 50.02 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 117.265 0.532 . . . . 25.0 110.893 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.4 mt -116.9 122.55 70.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.887 -1.153 . . . . 50.0 107.887 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -90.79 167.43 12.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -61.62 -27.83 68.94 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.228 0.537 . . . . 25.0 110.773 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -71.98 -41.2 67.95 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.71 -0.619 . . . . 50.0 110.231 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -67.23 -42.08 84.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 50.0 110.13 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.64 -49.57 77.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.364 0.602 . . . . 50.0 110.199 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -33.08 86.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 115.871 -0.604 . . . . 50.0 113.415 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.8 m -64.59 -45.33 87.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.231 -0.57 . . . . 25.0 109.779 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.04 -39.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.651 -0.419 . . . . 50.0 110.893 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.28 -43.54 88.06 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.02 -0.425 . . . . 50.0 110.015 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -73.68 -22.62 59.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.032 0.752 . . . . 50.0 113.032 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -72.39 -29.13 63.48 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.275 -0.639 . . . . 50.0 109.275 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.27 -1.41 44.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.716 0.807 . . . . 50.0 110.625 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.27 3.98 81.49 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-N 116.445 -0.343 . . . . 50.0 113.749 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -78.65 147.99 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.611 0.705 . . . . 50.0 109.396 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -117.17 57.18 1.91 Allowed Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.007 0.743 . . . . 50.0 113.007 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.04 160.43 42.88 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 115.907 -2.262 . . . . 50.0 113.065 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -77.84 163.22 26.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -72.73 -18.94 61.47 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.398 -0.814 . . . . 25.0 110.17 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.56 68.26 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 122.516 -0.115 . . . . 25.0 110.834 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.24 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.079 0.942 . . . . 50.0 108.666 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.64 -23.48 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.479 -0.782 . . . . 50.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -79.54 -49.78 11.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 119.315 -0.374 . . . . 50.0 111.022 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -69.56 -28.61 66.13 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.881 0.764 . . . . 50.0 112.274 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mtp -61.24 -33.03 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 50.0 110.638 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -85.37 -46.23 17.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-N 116.224 -0.444 . . . . 50.0 110.993 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.73 -33.38 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 117.777 0.262 . . . . 50.0 111.509 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.99 -21.31 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.317 1.228 . . . . 50.0 114.317 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.93 -16.79 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 -177.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -84.28 51.53 2.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.399 0.68 . . . . 50.0 111.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -20.21 66.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.276 0.56 . . . . 25.0 111.15 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.394 0.678 . . . . 50.0 110.962 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.35 14.41 81.97 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 117.64 1.816 . . . . 50.0 117.64 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -78.79 -1.62 35.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.517 1.658 . . . . 50.0 114.088 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.46 4.08 90.28 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 115.265 0.866 . . . . 50.0 115.265 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.8 p -136.06 161.49 35.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.266 0.533 . . . . 25.0 110.395 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.7 mt -90.38 116.78 32.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.725 -1.583 . . . . 50.0 106.725 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.93 173.37 8.26 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.384 -0.969 . . . . 50.0 108.384 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.45 -51.27 79.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 50.0 115.833 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.02 -21.29 24.35 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 113.366 -3.956 . . . . 50.0 113.536 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.37 -34.44 65.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.022 -0.733 . . . . 50.0 109.022 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -68.2 -36.94 80.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 50.0 109.809 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -46.15 89.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 m -65.91 -42.96 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 25.0 111.176 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.8 ttp . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.304 0.573 . . . . 50.0 110.397 -179.583 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.0 mt . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 109.618 -0.512 . . . . 50.0 109.618 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -65.28 -39.06 92.08 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.836 -0.54 . . . . 50.0 112.261 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.18 -43.35 91.97 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.735 -0.786 . . . . 50.0 109.856 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.02 89.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.361 0.601 . . . . 25.0 111.235 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.47 -42.46 98.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.346 0.593 . . . . 50.0 110.683 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -69.1 -13.77 62.62 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 114.484 1.29 . . . . 50.0 114.484 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.67 -38.57 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 107.992 -1.114 . . . . 50.0 107.992 174.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -89.89 -44.37 9.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.232 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.15 64.08 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.12 0.962 . . . . 50.0 108.658 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -60.03 -31.23 69.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.713 -1.13 . . . . 50.0 112.312 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.0 -18.82 49.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.47 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.14 24.96 65.01 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 117.733 1.853 . . . . 25.0 117.733 172.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.52 -0.08 56.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.649 1.352 . . . . 50.0 114.649 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.45 2.69 61.67 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.567 0.587 . . . . 50.0 114.567 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -139.5 138.88 36.75 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.517 0.327 . . . . 50.0 110.277 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.96 111.31 27.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 105.683 -1.969 . . . . 50.0 105.683 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.8 p -82.26 163.07 22.09 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.867 -0.733 . . . . 50.0 109.429 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.52 79.09 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.26 83.33 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.99 0.424 . . . . 25.0 111.467 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.79 -43.77 71.43 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.95 -0.389 . . . . 50.0 109.95 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.62 -41.7 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.49 0.662 . . . . 50.0 109.424 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -38.07 83.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 50.0 111.018 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.84 -45.41 86.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.306 -0.247 . . . . 50.0 110.565 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.64 -45.17 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mmt -62.58 -40.58 97.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.353 -0.217 . . . . 50.0 111.569 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.6 m -62.74 -38.87 92.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.729 0.3 . . . . 25.0 110.539 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.95 -28.06 62.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.307 -0.246 . . . . 25.0 111.174 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 mt -72.82 -25.25 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.852 -0.425 . . . . 75.0 109.852 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 122.83 -16.84 8.26 Favored Glycine 0 C--N 1.328 0.114 0 CA-C-N 116.055 -0.521 . . . . 50.0 112.487 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -71.23 134.32 46.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 50.0 110.312 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -114.69 54.57 0.77 Allowed 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.607 0.718 . . . . 50.0 110.496 -174.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.43 163.32 27.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.224 -1.353 . . . . 50.0 107.357 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -92.35 168.02 11.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.51 -34.56 78.06 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -64.36 -40.52 96.0 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.542 -1.208 . . . . 75.0 112.24 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.17 -37.36 85.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.542 0.686 . . . . 50.0 109.902 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -71.56 -34.42 52.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 116.112 -0.495 . . . . 50.0 110.162 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.32 -44.89 96.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.177 0.513 . . . . 50.0 109.802 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.72 -37.52 82.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.12 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 95.8 mtp -69.45 -38.08 77.62 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.412 0.523 . . . . 75.0 112.412 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.17 -38.27 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.757 -0.831 . . . . 50.0 108.757 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -60.39 -25.04 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 50.0 114.036 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.05 -20.69 66.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.085 0.402 . . . . 50.0 112.085 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -123.38 3.43 9.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -86.77 76.85 9.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.503 0.668 . . . . 50.0 111.208 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.4 -44.26 97.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.712 -0.677 . . . . 50.0 112.035 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -87.34 -2.59 58.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.047 1.129 . . . . 50.0 114.047 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.11 17.39 80.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 116.987 1.555 . . . . 50.0 116.987 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.22 1.53 50.43 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.153 1.538 . . . . 50.0 115.153 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.08 10.1 84.32 Favored Glycine 0 C--O 1.24 0.476 0 C-N-CA 121.325 -0.464 . . . . 50.0 114.23 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -137.78 171.14 14.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.19 116.71 47.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.776 -1.565 . . . . 50.0 106.776 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.94 166.64 23.05 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.44 -1.689 . . . . 50.0 106.44 -177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -59.43 -43.58 93.08 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 120.416 -0.514 . . . . 50.0 110.775 174.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.23 -37.86 88.88 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.463 0.649 . . . . 50.0 112.363 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.24 -34.79 76.86 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.197 -0.668 . . . . 50.0 109.197 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -69.07 -38.01 78.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.032 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.78 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -63.39 -37.43 87.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 50.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.5 ttm -64.4 -39.02 93.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.217 0.532 . . . . 50.0 111.181 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -175.612 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 112.036 0.384 . . . . 25.0 112.036 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.54 -38.72 74.24 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.25 -43.26 87.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.6 78.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.782 0.433 . . . . 25.0 111.533 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -68.73 -45.5 71.36 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 120.965 0.412 . . . . 50.0 110.047 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.1 t -67.18 -20.38 65.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.397 0.618 . . . . 50.0 111.337 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -27.71 65.81 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 116.18 -0.464 . . . . 50.0 110.384 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.02 -41.41 8.77 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.614 0.365 . . . . 50.0 111.234 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.95 101.67 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.654 0.781 . . . . 50.0 109.109 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -70.57 -24.64 62.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 121.772 -0.58 . . . . 75.0 111.681 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -84.48 -27.65 27.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.296 0.569 . . . . 75.0 110.476 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 15.58 78.51 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.389 -0.823 . . . . 25.0 113.632 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -79.31 -25.85 42.33 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.739 1.015 . . . . 50.0 113.739 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.13 -2.35 8.38 Favored Glycine 0 C--O 1.241 0.57 0 C-N-CA 121.451 -0.405 . . . . 50.0 114.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -134.59 146.57 49.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 117.458 0.629 . . . . 25.0 111.367 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.13 124.61 69.94 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 107.02 -1.474 . . . . 50.0 107.02 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 t -104.06 169.91 8.22 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.0 p -56.0 -39.16 71.48 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.445 0.64 . . . . 25.0 111.71 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -60.7 -42.68 97.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.55 0.69 . . . . 50.0 110.606 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.78 -42.26 70.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.031 -0.531 . . . . 50.0 110.505 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.12 -41.81 93.44 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.338 -0.986 . . . . 50.0 108.338 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.9 -33.32 85.37 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 121.465 -0.398 . . . . 50.0 113.543 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.6 m -67.49 -44.9 77.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.34 -43.38 94.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.908 -0.405 . . . . 50.0 109.908 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.4 -45.85 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.117 0.414 . . . . 50.0 112.117 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -70.47 -23.89 62.77 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.534 0.939 . . . . 50.0 113.534 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -69.88 -30.19 67.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.21 -2.67 58.79 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.03 -0.532 . . . . 50.0 111.623 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.48 1.89 65.95 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 115.25 0.86 . . . . 50.0 115.25 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -82.59 155.44 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.904 -0.763 . . . . 50.0 111.774 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -127.1 54.86 13.27 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 115.494 1.665 . . . . 50.0 115.494 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.01 151.26 61.79 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 115.488 -2.541 . . . . 50.0 113.249 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.5 p -74.05 161.97 29.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.98 -18.78 62.6 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.455 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.61 69.0 Favored 'General case' 0 C--O 1.205 -1.263 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.4 -38.82 88.35 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 108.8 -0.815 . . . . 50.0 108.8 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.9 -35.38 80.48 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.77 -0.581 . . . . 50.0 110.301 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -68.89 -44.3 73.48 Favored 'General case' 0 C--O 1.198 -1.609 0 N-CA-C 108.714 -0.847 . . . . 50.0 108.714 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.79 -45.49 94.2 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-O 121.895 0.855 . . . . 50.0 111.581 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.6 mtt -60.79 -24.47 65.82 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 112.454 0.538 . . . . 50.0 112.454 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -86.26 -45.56 16.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.622 -0.881 . . . . 50.0 108.622 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.24 -30.27 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 112.251 0.463 . . . . 50.0 112.251 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -52.36 -32.75 39.95 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.284 0.846 . . . . 50.0 113.284 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -9.9 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.073 1.138 . . . . 50.0 114.073 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -83.85 52.08 2.2 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 123.287 0.635 . . . . 50.0 110.812 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.28 61.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.025 0.44 . . . . 25.0 111.688 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -82.71 -9.48 59.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.38 -0.373 . . . . 50.0 111.908 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.92 79.19 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 116.469 1.348 . . . . 50.0 116.469 175.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.86 -6.05 58.29 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.192 1.496 . . . . 50.0 113.965 -176.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.62 -2.08 84.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 117.153 1.621 . . . . 50.0 117.153 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.7 p -138.25 149.06 45.38 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 117.664 0.732 . . . . 25.0 112.261 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.96 111.86 21.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.545 1.164 . . . . 50.0 108.222 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -88.35 171.28 10.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.413 -1.267 . . . . 50.0 108.234 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.38 -49.81 83.27 Favored Pre-proline 0 CA--C 1.554 1.103 0 N-CA-C 114.682 1.364 . . . . 50.0 114.682 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -64.13 -30.53 65.37 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 115.221 -2.72 . . . . 50.0 115.195 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.21 -29.09 60.2 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.711 -0.618 . . . . 50.0 109.689 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.9 -35.92 72.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.09 -38.52 90.99 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.4 m -66.08 -37.52 85.99 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.664 0.745 . . . . 25.0 110.697 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.8 ttp . . . . . 0 C--O 1.241 0.628 0 O-C-N 121.678 -0.639 . . . . 50.0 110.27 177.649 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.233 0.234 0 N-CA-C 108.644 -0.873 . . . . 50.0 108.644 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -65.77 -22.37 66.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 118.454 -0.784 . . . . 50.0 111.613 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -67.92 -44.11 77.64 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.801 1.182 . . . . 50.0 108.42 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.38 76.73 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.893 0.854 . . . . 25.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -63.5 -39.05 93.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 50.0 109.7 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.1 mtm-85 -71.12 -11.46 60.96 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 114.125 1.158 . . . . 50.0 114.125 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.78 -36.78 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 106.922 -1.51 . . . . 50.0 106.922 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -93.43 -47.2 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.015 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -83.86 56.39 3.66 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 121.436 0.636 . . . . 50.0 110.536 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -65.33 -25.78 67.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.652 0.739 . . . . 50.0 110.628 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -75.89 -14.03 60.27 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.196 -0.911 . . . . 25.0 111.795 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.68 72.87 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 116.571 1.389 . . . . 25.0 116.571 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.58 -1.29 57.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.226 1.513 . . . . 50.0 114.108 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.54 3.74 64.47 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 114.594 0.598 . . . . 50.0 114.594 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.19 151.21 47.49 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 122.455 -0.438 . . . . 50.0 110.128 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -105.69 124.15 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 106.092 -1.818 . . . . 50.0 106.092 171.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.57 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 89.7 p -95.96 166.08 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 25.0 110.01 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.51 82.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.037 0.446 . . . . 25.0 110.582 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.57 ' H ' ' HG ' ' A' ' 101' ' ' SER . 64.4 mt-10 -68.85 -41.62 78.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 50.0 111.207 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.77 -51.02 70.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.54 -0.755 . . . . 50.0 109.157 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -60.3 -37.73 81.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.712 -0.676 . . . . 50.0 112.02 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.14 -45.0 93.96 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.948 -0.47 . . . . 50.0 111.56 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.88 -42.25 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-O 120.917 0.389 . . . . 50.0 110.275 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.9 mtp -66.25 -32.26 73.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 113.992 1.108 . . . . 50.0 113.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.6 m -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.189 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -70.97 -23.62 62.25 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.48 -16.89 60.26 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.065 0.546 . . . . 75.0 110.653 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.87 -9.79 60.22 Favored Glycine 0 C--O 1.246 0.889 0 CA-C-N 115.967 -0.56 . . . . 50.0 112.692 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.42 134.39 45.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.522 0.677 . . . . 50.0 110.295 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -109.18 67.2 0.65 Allowed 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.51 0.672 . . . . 50.0 110.195 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.69 155.52 40.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.13 -0.941 . . . . 50.0 109.886 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.0 p -88.64 176.34 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -32.09 71.27 Favored 'General case' 0 C--O 1.202 -1.409 0 C-N-CA 119.482 -0.887 . . . . 50.0 108.66 174.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.37 -41.48 98.81 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 115.799 -0.637 . . . . 75.0 111.478 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -62.96 -33.73 76.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.18 0.514 . . . . 50.0 110.762 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -78.88 -38.87 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.722 -0.473 . . . . 50.0 109.722 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.91 -44.18 94.44 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.517 -0.549 . . . . 50.0 109.517 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.54 -49.78 76.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.139 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.5 mtm -59.31 -34.74 72.69 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.213 0.82 . . . . 75.0 113.213 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -77.43 -45.27 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 119.416 -0.326 . . . . 50.0 111.554 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -65.93 -34.08 77.31 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 114.32 1.23 . . . . 50.0 114.32 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.51 -15.82 61.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.575 0.702 . . . . 50.0 110.459 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.3 -18.69 15.33 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.054 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -81.91 73.37 8.95 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -173.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.33 -45.26 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 112.732 0.641 . . . . 50.0 112.732 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -86.98 -3.95 59.13 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 114.526 1.306 . . . . 50.0 114.526 -174.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.41 15.51 81.44 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 116.688 1.435 . . . . 50.0 116.688 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.54 -1.2 49.9 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.594 1.197 . . . . 50.0 112.938 -177.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.85 3.29 85.84 Favored Glycine 0 C--O 1.24 0.531 0 C-N-CA 120.696 -0.764 . . . . 50.0 114.639 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -132.84 169.68 16.4 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.064 -1.087 . . . . 50.0 108.064 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.78 114.64 44.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 107.779 -1.193 . . . . 50.0 107.779 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.34 171.25 15.44 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.81 -1.552 . . . . 50.0 106.81 -175.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -60.28 -45.12 94.44 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.063 -1.023 . . . . 50.0 112.452 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.39 -36.83 85.43 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.413 0.625 . . . . 50.0 111.798 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.87 -35.36 76.81 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.84 -0.618 . . . . 50.0 109.803 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.19 -40.43 96.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.686 -0.487 . . . . 50.0 109.686 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -43.55 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -62.41 -45.72 91.83 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.046 -0.409 . . . . 50.0 111.595 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.78 -36.79 79.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.06 0.457 . . . . 50.0 109.905 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.9 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.154 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 C--O 1.217 -0.638 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -66.31 -40.08 89.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.752 -0.462 . . . . 50.0 109.752 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -68.74 -40.46 79.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.127 0.489 . . . . 50.0 109.825 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.92 85.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.019 0.438 . . . . 25.0 111.446 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.37 -44.45 78.94 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.635 -0.505 . . . . 50.0 109.635 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 t -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 50.0 110.684 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -26.61 68.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.529 -0.305 . . . . 50.0 111.152 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.95 -36.51 11.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 50.0 110.831 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -79.76 82.69 5.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.763 0.792 . . . . 50.0 110.55 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.03 -26.27 63.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.261 0.837 . . . . 75.0 113.261 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -96.1 -13.99 23.21 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.042 0.386 . . . . 75.0 112.042 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.25 81.23 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 116.902 1.521 . . . . 25.0 116.902 173.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.49 -5.96 55.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.395 1.257 . . . . 50.0 114.395 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.03 58.22 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 114.814 0.685 . . . . 50.0 114.814 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 p -133.9 160.26 38.2 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.526 0.663 . . . . 25.0 111.087 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.13 124.98 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.727 -1.583 . . . . 50.0 106.727 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.537 ' HG1' ' N ' ' A' ' 29' ' ' THR . 7.6 t -108.03 167.58 9.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' ' HG1' ' A' ' 28' ' ' THR . 0.1 OUTLIER -56.9 -36.4 70.1 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 122.096 -0.377 . . . . 25.0 111.555 -178.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.03 -44.78 83.24 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.367 0.604 . . . . 50.0 110.937 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.31 -44.29 62.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 50.0 111.301 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.11 -44.23 97.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.676 0.751 . . . . 50.0 110.02 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -34.2 85.8 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.667 -0.697 . . . . 50.0 113.323 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -63.79 -41.63 97.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.24 -45.9 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.776 -0.453 . . . . 50.0 109.776 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.9 mtt -61.12 -44.44 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.54 -19.43 60.34 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.801 -0.76 . . . . 50.0 112.159 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -71.58 -23.17 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.553 -0.906 . . . . 50.0 108.553 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -90.82 1.86 56.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.688 . . . . 50.0 111.105 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.28 -1.26 57.35 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 116.071 1.188 . . . . 50.0 116.071 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -74.63 160.44 30.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.126 0.963 . . . . 50.0 110.153 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -124.47 56.07 11.45 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 111.938 0.348 . . . . 50.0 111.938 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.9 162.79 26.37 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 116.367 -1.955 . . . . 50.0 114.899 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -95.62 162.86 13.45 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.7 -32.75 74.48 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.49 -0.756 . . . . 25.0 112.662 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.74 78.32 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.777 0.322 . . . . 25.0 110.792 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -63.59 -38.32 90.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.171 0.986 . . . . 50.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.8 mt -73.54 -31.34 63.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.597 -0.729 . . . . 50.0 110.25 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -70.61 -37.36 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.817 0.673 . . . . 50.0 112.817 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.49 -28.76 66.34 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 119.305 -0.958 . . . . 50.0 110.437 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -68.99 -27.84 66.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.018 -0.426 . . . . 50.0 110.891 175.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.5 mt -79.71 -47.19 22.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 109.168 -0.679 . . . . 50.0 109.168 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.25 -31.88 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 122.518 0.327 . . . . 50.0 110.819 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.92 -20.17 61.68 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.376 1.25 . . . . 50.0 114.376 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -9.18 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 111.964 0.357 . . . . 50.0 111.964 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -84.58 55.07 3.25 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.718 0.807 . . . . 50.0 111.523 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -15.98 63.24 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.212 0.53 . . . . 25.0 112.202 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -83.56 -19.39 35.68 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.74 0.816 . . . . 50.0 112.063 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.39 17.44 73.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.469 1.348 . . . . 50.0 116.469 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.01 -6.22 55.82 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.1 1.519 . . . . 50.0 115.1 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.04 4.56 86.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 117.552 1.781 . . . . 50.0 117.552 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -137.52 158.99 43.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.218 1.009 . . . . 25.0 110.547 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.7 mt -88.59 116.33 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.71 172.12 11.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.851 -0.796 . . . . 50.0 108.851 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.05 -48.84 96.37 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 114.535 1.309 . . . . 50.0 114.535 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.99 -28.11 49.97 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.285 -3.344 . . . . 50.0 113.656 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.05 -32.63 65.18 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -67.11 -39.89 86.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 50.0 109.012 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.33 -39.26 93.54 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 109.265 -0.643 . . . . 50.0 109.265 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.37 -39.25 92.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.876 0.369 . . . . 25.0 110.505 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.405 0.621 . . . . 50.0 110.409 177.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.449 HG23 ' HH ' ' A' ' 138' ' ' TYR . 86.8 mt . . . . . 0 C--O 1.237 0.415 0 N-CA-C 108.8 -0.815 . . . . 50.0 108.8 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -63.2 -41.45 99.17 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.608 -0.683 . . . . 50.0 110.519 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.324 -0.235 . . . . 50.0 111.487 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.32 85.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.94 0.4 . . . . 25.0 110.717 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -63.21 -40.25 96.95 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.4 -14.96 63.37 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.077 1.14 . . . . 50.0 114.077 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.25 -40.7 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.136 -1.431 . . . . 50.0 107.136 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -94.76 -40.21 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -81.49 73.64 8.52 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.851 0.834 . . . . 50.0 109.589 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -74.99 -29.66 60.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 114.202 1.186 . . . . 50.0 114.202 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -85.21 -10.39 56.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.66 0.267 . . . . 25.0 110.591 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.35 75.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -81.61 0.69 37.25 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.185 0.993 . . . . 50.0 113.357 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.48 2.57 72.98 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 115.003 0.761 . . . . 50.0 115.003 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -140.79 157.82 44.85 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 117.032 0.416 . . . . 50.0 110.294 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 mt -119.56 107.3 20.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.148 -1.427 . . . . 50.0 107.148 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.439 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 96.1 p -83.77 166.13 18.27 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.886 -0.509 . . . . 50.0 110.682 -177.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.98 90.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.064 0.459 . . . . 25.0 111.379 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.37 77.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.34 0.59 . . . . 25.0 110.758 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.439 ' H ' ' HG ' ' A' ' 101' ' ' SER . 67.8 tt0 -72.11 -40.66 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.913 -0.585 . . . . 50.0 110.774 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.1 tp -65.62 -41.97 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 50.0 109.505 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -37.91 74.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.689 . . . . 50.0 110.673 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -60.32 -43.9 95.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 50.0 110.671 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.05 -48.09 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.16 0.505 . . . . 50.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.6 mtt -65.12 -39.52 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.907 0.706 . . . . 50.0 112.907 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.4 m -63.61 -38.47 91.24 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -72.15 -23.91 61.37 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 120.848 -0.341 . . . . 25.0 111.278 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.75 -11.09 59.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.001 0.429 . . . . 75.0 109.957 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.46 8.6 65.84 Favored Glycine 0 C--O 1.241 0.566 0 CA-C-N 116.133 -0.485 . . . . 50.0 112.819 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.31 123.91 24.0 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -92.88 53.68 2.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.382 0.61 . . . . 50.0 110.807 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.0 mt -81.81 162.82 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.699 -1.137 . . . . 50.0 108.7 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.7 p -94.51 169.56 10.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -70.47 -29.07 65.52 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.547 -0.538 . . . . 50.0 109.547 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.85 -35.68 78.99 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 116.039 -0.528 . . . . 75.0 111.529 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.65 -38.17 90.11 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.579 0.704 . . . . 50.0 109.714 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.18 -39.76 65.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 N-CA-C 108.895 -0.779 . . . . 50.0 108.895 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -60.69 -44.44 96.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.271 0.558 . . . . 50.0 110.258 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.91 -43.56 98.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.787 177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.7 mtm -65.79 -34.79 78.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.151 0.797 . . . . 75.0 113.151 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.1 mm -71.84 -39.11 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.699 -0.482 . . . . 50.0 109.699 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 mtm105 -62.87 -26.19 68.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.574 1.324 . . . . 50.0 114.574 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -69.03 -17.16 63.86 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 121.022 0.439 . . . . 50.0 111.214 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.94 -12.94 11.96 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.07 75.47 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.576 0.703 . . . . 50.0 112.097 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.59 -43.63 98.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.486 -0.779 . . . . 50.0 112.347 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -86.61 -4.18 59.14 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.39 1.255 . . . . 50.0 114.39 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.52 20.25 79.62 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 116.82 1.488 . . . . 50.0 116.82 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -0.74 56.09 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.478 1.288 . . . . 50.0 114.478 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.47 8.42 80.8 Favored Glycine 0 C--O 1.242 0.6 0 C-N-CA 121.172 -0.537 . . . . 50.0 113.639 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.45 168.53 19.46 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.204 -0.586 . . . . 50.0 109.924 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.0 t -100.62 120.69 50.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -80.52 171.13 15.44 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.565 -1.643 . . . . 50.0 106.565 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.449 ' HH ' HG23 ' A' ' 85' ' ' ILE . 41.1 t80 -59.59 -48.68 80.69 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.056 0.761 . . . . 50.0 113.056 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.08 -35.22 77.82 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.146 -0.971 . . . . 50.0 111.544 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.54 -32.87 74.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.385 -0.825 . . . . 50.0 109.699 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.99 -34.78 77.19 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.97 -0.456 . . . . 50.0 111.015 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.83 -39.97 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.396 -0.964 . . . . 50.0 108.396 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -63.88 -40.22 96.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.895 -0.503 . . . . 50.0 110.71 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.8 ttt -66.02 -21.62 66.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.375 0.607 . . . . 50.0 111.732 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.9 ttm . . . . . 0 C--N 1.322 -0.6 0 O-C-N 121.918 -0.489 . . . . 25.0 111.504 179.681 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.237 0.397 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -70.5 -41.85 72.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.105 -0.331 . . . . 50.0 110.105 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -71.86 -34.4 69.19 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.473 -0.491 . . . . 50.0 110.322 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.24 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.129 -0.357 . . . . 25.0 110.525 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -67.2 -42.42 84.16 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.207 -0.308 . . . . 50.0 110.264 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -60.91 -33.87 73.8 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.662 0.744 . . . . 50.0 112.143 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.29 -37.98 85.15 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 122.276 1.036 . . . . 50.0 111.774 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -78.99 -36.75 40.8 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.018 -0.992 . . . . 50.0 111.727 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -77.21 102.39 6.62 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.394 0.616 . . . . 50.0 110.685 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -69.69 -23.38 63.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.608 0.966 . . . . 75.0 113.608 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -88.85 -28.11 20.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 75.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.22 16.22 80.71 Favored Glycine 0 C--O 1.224 -0.503 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.58 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.15 -13.77 49.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.898 1.073 . . . . 50.0 113.898 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.92 -0.45 28.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 114.719 0.648 . . . . 50.0 114.719 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -132.19 145.15 51.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.662 0.731 . . . . 25.0 111.572 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -108.44 120.77 60.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.421 -0.955 . . . . 50.0 108.421 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -91.14 166.25 13.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 t -62.16 -27.71 69.14 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.563 0.696 . . . . 25.0 111.038 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.52 -44.79 73.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.534 0.683 . . . . 50.0 109.927 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.11 -42.27 80.5 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.599 -0.728 . . . . 50.0 111.526 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.01 -44.83 91.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -38.09 95.64 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-N 115.91 -0.586 . . . . 50.0 113.02 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 m -64.69 -41.59 95.92 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.826 -0.808 . . . . 25.0 110.229 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.17 -45.33 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 121.679 -0.638 . . . . 50.0 109.453 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.74 -42.35 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.018 0.377 . . . . 50.0 112.018 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -72.48 -25.95 61.62 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.779 0.659 . . . . 50.0 112.779 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -71.06 -26.9 63.28 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.801 -0.444 . . . . 50.0 109.801 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.86 3.62 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 50.0 110.633 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.35 8.54 81.02 Favored Glycine 0 C--O 1.222 -0.652 0 N-CA-C 114.632 0.613 . . . . 50.0 114.632 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -100.07 138.5 37.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.184 0.492 . . . . 50.0 109.689 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -119.44 59.83 5.35 Favored Pre-proline 0 CA--C 1.556 1.192 0 N-CA-C 114.225 1.194 . . . . 50.0 114.225 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -68.19 166.66 24.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 N-CA-C 114.936 1.091 . . . . 50.0 114.936 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.5 p -83.13 167.11 18.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.335 -0.616 . . . . 25.0 109.335 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -68.68 -32.28 71.98 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.564 -0.71 . . . . 25.0 111.085 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.43 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 25.0 110.409 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -67.18 -39.77 86.47 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.558 0.694 . . . . 50.0 109.571 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.1 mt -68.98 -25.72 64.67 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.063 -0.398 . . . . 50.0 110.841 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -76.07 -38.2 57.33 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 117.977 -1.011 . . . . 50.0 112.294 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.73 -27.93 68.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.652 1.115 . . . . 50.0 111.561 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 55.3 mtt -66.49 -27.03 67.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.173 0.511 . . . . 50.0 111.479 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.3 mt -87.19 -45.74 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 109.079 -0.711 . . . . 50.0 109.079 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.41 -32.61 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 123.456 0.702 . . . . 50.0 111.398 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.6 -20.82 22.93 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.002 1.112 . . . . 50.0 114.002 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.69 -22.53 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.449 0.907 . . . . 50.0 113.449 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -80.58 44.43 0.72 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.09 -14.18 62.86 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.163 0.506 . . . . 25.0 109.689 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -77.86 -18.41 56.26 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.81 -0.632 . . . . 50.0 111.582 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.44 4.16 89.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 119.638 2.615 . . . . 50.0 119.638 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -79.24 -1.26 35.67 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.744 1.772 . . . . 50.0 114.318 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.88 -3.01 85.38 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.943 1.537 . . . . 50.0 116.943 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.3 p -137.03 171.25 14.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 117.227 0.513 . . . . 25.0 111.522 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.3 mt -105.44 109.9 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.233 -1.766 . . . . 50.0 106.233 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.24 169.02 12.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.459 -1.312 . . . . 50.0 107.459 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.78 -49.7 90.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 N-CA-C 115.61 1.707 . . . . 50.0 115.61 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.39 -18.72 38.58 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 114.274 -3.351 . . . . 50.0 113.398 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -80.79 -22.71 39.84 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.699 -0.626 . . . . 50.0 111.238 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.74 -37.45 82.19 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.509 -1.663 . . . . 50.0 106.509 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.96 -37.81 84.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.768 -0.651 . . . . 50.0 110.046 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -64.26 -38.24 90.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.827 -0.546 . . . . 25.0 111.3 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 176.285 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.978 0.418 . . . . 50.0 110.085 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -67.97 -36.45 80.07 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.696 -0.627 . . . . 50.0 111.926 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.43 -46.04 90.36 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.56 -0.533 . . . . 50.0 109.56 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.04 -34.78 78.31 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.492 0.495 . . . . 25.0 111.608 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.36 -41.11 93.01 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.71 -0.478 . . . . 50.0 109.71 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -70.06 -15.59 63.02 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.13 1.159 . . . . 50.0 114.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.26 -35.52 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 175.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -88.33 -43.0 11.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 25.0 111.07 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -83.94 80.17 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.862 0.839 . . . . 50.0 110.551 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.79 -15.89 60.73 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.926 -1.034 . . . . 50.0 112.586 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -75.24 -27.01 59.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.276 0.56 . . . . 25.0 109.838 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.35 27.93 66.94 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.585 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -105.84 5.7 30.96 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.956 1.836 . . . . 50.0 115.956 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 5.11 75.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 115.397 0.919 . . . . 50.0 115.397 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -134.96 133.46 39.54 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.771 -0.455 . . . . 50.0 109.771 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.4 mt -100.09 113.87 36.9 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 106.828 -1.545 . . . . 50.0 106.828 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.9 p -78.47 160.58 27.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.893 -0.723 . . . . 50.0 109.967 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.83 76.54 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.91 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.241 0.544 . . . . 25.0 110.944 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -64.51 -46.59 82.29 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.799 -0.445 . . . . 50.0 109.799 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -43.79 92.56 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.006 0.431 . . . . 50.0 111.418 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.28 -37.12 82.02 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.815 -0.553 . . . . 50.0 110.627 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -65.7 -38.14 88.38 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.357 -0.537 . . . . 50.0 110.7 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.89 -43.31 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.026 -0.731 . . . . 50.0 109.026 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.1 mtp -62.83 -40.92 98.9 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.76 0.314 . . . . 50.0 111.292 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.5 m -61.53 -39.83 92.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.368 0.604 . . . . 25.0 110.025 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -73.82 -23.15 59.62 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.68 -13.43 60.62 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 121.504 0.669 . . . . 75.0 109.468 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.67 32.23 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.853 -0.612 . . . . 50.0 113.079 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.26 118.64 28.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.303 1.049 . . . . 50.0 112.592 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -95.85 61.73 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 114.114 1.153 . . . . 50.0 114.114 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.79 155.58 40.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 105.434 -2.061 . . . . 50.0 105.434 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -84.84 166.69 16.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 106.556 -1.646 . . . . 25.0 106.556 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.96 -36.13 82.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.816 -0.354 . . . . 50.0 110.066 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -67.61 -37.07 82.01 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 112.729 0.64 . . . . 75.0 112.729 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.21 -38.31 90.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.427 0.632 . . . . 50.0 109.842 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.07 -35.89 55.11 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-N 115.479 -0.782 . . . . 50.0 111.483 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.58 -41.99 87.01 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.767 -0.457 . . . . 50.0 109.767 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -60.96 -38.85 87.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 120.846 -0.342 . . . . 25.0 111.722 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.38 -34.17 74.13 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.796 0.665 . . . . 75.0 112.796 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.0 mm -72.22 -37.46 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.976 -0.75 . . . . 50.0 108.976 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -59.08 -26.08 64.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.226 1.195 . . . . 50.0 114.226 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -70.53 -15.95 62.83 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.169 0.509 . . . . 50.0 111.024 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -116.72 -26.5 6.96 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -77.99 90.13 4.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.735 0.643 . . . . 50.0 112.735 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.71 -44.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 122.982 0.513 . . . . 50.0 111.829 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -84.13 -9.99 58.14 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.971 1.1 . . . . 50.0 113.971 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.74 22.09 77.6 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.438 -0.646 . . . . 50.0 114.575 174.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -83.63 -0.49 50.81 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.74 11.1 80.21 Favored Glycine 0 C--O 1.249 1.033 0 N-CA-C 112.04 -0.424 . . . . 50.0 112.04 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.95 163.41 30.34 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.657 0.742 . . . . 50.0 111.126 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.47 113.87 44.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 106.323 -1.732 . . . . 50.0 106.323 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -75.26 167.46 21.87 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.37 -2.455 . . . . 50.0 104.37 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -59.23 -43.87 92.35 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.477 -1.389 . . . . 50.0 112.828 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.5 -39.04 91.4 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.717 -0.615 . . . . 50.0 112.587 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.78 -33.93 76.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.608 -0.723 . . . . 50.0 110.783 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -68.91 -39.02 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.165 0.507 . . . . 50.0 110.997 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.31 -42.87 97.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.923 -1.14 . . . . 50.0 107.923 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -61.1 -43.62 98.6 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 122.139 -0.35 . . . . 50.0 111.013 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.98 -41.42 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.16 0.505 . . . . 50.0 111.206 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.7 ptm . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 114.47 1.285 . . . . 25.0 114.47 -177.301 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.729 0.27 . . . . 25.0 111.729 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.68 -37.7 73.67 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.809 -0.557 . . . . 50.0 110.474 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.64 -42.82 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.61 -0.885 . . . . 50.0 108.61 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.59 76.41 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.178 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -67.73 -45.09 76.02 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -63.26 -29.94 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.811 0.815 . . . . 50.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -21.92 65.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.814 -0.63 . . . . 50.0 111.827 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -102.79 -39.52 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.546 0.338 . . . . 50.0 111.203 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.83 82.17 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.02 0.914 . . . . 50.0 110.855 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.08 -21.66 62.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.892 1.071 . . . . 75.0 113.892 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.22 -14.01 19.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.795 0.665 . . . . 75.0 112.795 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.08 82.73 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.6 -2.68 43.66 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.314 1.227 . . . . 50.0 114.314 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.05 4.84 66.52 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-O 119.588 -0.562 . . . . 50.0 114.165 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -130.87 155.93 45.91 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 117.66 0.73 . . . . 25.0 111.321 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.18 125.04 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.959 -1.867 . . . . 50.0 105.959 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -113.07 169.93 8.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -62.01 -28.03 69.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.818 -0.551 . . . . 25.0 112.451 -175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.98 -39.05 87.08 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.634 -0.666 . . . . 50.0 110.725 174.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -72.22 -36.81 69.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.502 -0.555 . . . . 50.0 109.502 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.35 -0.982 . . . . 50.0 108.35 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.02 87.99 Favored Glycine 0 C--O 1.221 -0.659 0 CA-C-N 115.811 -0.631 . . . . 50.0 113.248 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.6 m -63.81 -43.97 94.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.13 -41.01 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.163 -0.336 . . . . 50.0 110.42 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.4 mmt -60.91 -41.11 95.47 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.838 -0.539 . . . . 50.0 111.754 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -67.49 -32.42 73.23 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.95 -0.469 . . . . 50.0 110.973 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -67.37 -31.02 70.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.867 0.365 . . . . 50.0 110.033 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.49 5.65 19.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.153 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.33 90.2 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 114.138 0.415 . . . . 50.0 114.138 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -86.73 149.68 24.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.267 0.534 . . . . 50.0 110.869 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -123.45 54.33 6.9 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 114.474 1.287 . . . . 50.0 114.474 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.89 163.57 38.0 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 117.824 -0.984 . . . . 50.0 113.501 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -81.65 165.14 21.3 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.422 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.11 -27.97 66.06 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.164 -0.96 . . . . 25.0 112.807 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.65 69.59 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.546 0.689 . . . . 25.0 109.147 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.42 -40.08 89.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.197 -0.911 . . . . 50.0 109.019 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.7 mt -67.71 -23.5 65.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 50.0 111.548 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -79.44 -40.5 29.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.168 -0.444 . . . . 50.0 111.707 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -69.92 -26.07 63.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.932 0.787 . . . . 50.0 111.837 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.1 mtt -60.24 -32.4 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.999 0.428 . . . . 50.0 110.381 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mt -83.63 -44.14 18.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 CA-C-O 119.126 -0.464 . . . . 50.0 110.12 177.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.36 -32.42 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 118.2 0.454 . . . . 50.0 112.157 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.66 -17.17 59.99 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.636 0.976 . . . . 50.0 113.636 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.18 -34.51 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.738 0.78 . . . . 50.0 109.602 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.12 59.04 2.62 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.098 1.359 . . . . 50.0 112.416 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.49 61.32 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.319 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.23 -17.42 46.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.824 -0.626 . . . . 50.0 111.623 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 5.89 89.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 117.598 1.799 . . . . 50.0 117.598 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -3.67 58.53 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.32 1.56 . . . . 50.0 114.724 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.34 2.56 90.62 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.204 2.041 . . . . 50.0 118.204 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -137.29 146.51 44.76 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.123 0.961 . . . . 25.0 111.326 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.5 123.16 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.193 -1.41 . . . . 50.0 107.193 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -105.47 -178.2 3.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.109 -1.071 . . . . 50.0 108.109 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.75 -47.32 97.72 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 115.953 1.835 . . . . 50.0 115.953 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -66.82 -27.34 44.06 Favored 'Trans proline' 0 C--N 1.356 0.925 1 C-N-CA 113.179 -4.081 . . . . 50.0 114.785 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -75.93 -27.27 57.53 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.17 -0.957 . . . . 50.0 110.816 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.84 -37.82 85.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.322 -0.992 . . . . 50.0 108.322 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -40.36 96.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 50.0 109.805 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.3 m -65.97 -38.65 89.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.5 . . . . 25.0 110.825 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 122.992 0.517 . . . . 50.0 110.98 177.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.39 -44.09 95.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.909 -0.495 . . . . 50.0 110.152 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.639 -0.424 . . . . 50.0 111.507 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.05 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.816 0.341 . . . . 25.0 110.329 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.78 -40.46 97.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 50.0 110.113 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.51 -18.48 65.06 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.087 0.773 . . . . 50.0 113.087 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.55 -35.66 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.404 -0.961 . . . . 50.0 108.404 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -92.97 -44.42 8.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -82.82 82.97 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 50.0 110.673 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -68.79 -24.14 64.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 50.0 112.115 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -73.41 -26.89 61.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.209 0.528 . . . . 25.0 110.215 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 21.83 77.68 Favored Glycine 0 C--O 1.223 -0.579 0 N-CA-C 111.64 -0.584 . . . . 25.0 111.64 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -93.53 2.71 56.33 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.224 1.194 . . . . 50.0 114.224 -173.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 8.26 64.08 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 114.48 0.552 . . . . 50.0 114.48 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.91 137.98 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.253 -0.277 . . . . 50.0 110.253 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.22 116.72 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.708 -1.59 . . . . 50.0 106.708 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -88.4 165.27 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.168 -0.679 . . . . 50.0 109.168 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.89 80.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.993 0.425 . . . . 25.0 110.33 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.71 98.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 25.0 110.892 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.91 -43.36 83.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.597 -0.274 . . . . 50.0 110.716 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.95 -42.79 99.92 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.292 -0.633 . . . . 50.0 109.292 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 50.0 111.466 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.86 -46.92 85.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.521 -0.548 . . . . 50.0 109.521 176.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.42 -39.47 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 122.307 -0.245 . . . . 50.0 110.61 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -38.89 89.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.601 0.715 . . . . 50.0 111.475 176.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 m -66.88 -35.59 80.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.19 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -70.28 -29.41 66.16 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.094 -0.379 . . . . 25.0 110.989 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.65 -19.97 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.09 0.471 . . . . 75.0 110.009 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.47 6.04 61.39 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-N 116.168 -0.469 . . . . 50.0 112.169 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -69.8 148.91 48.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.117 0.484 . . . . 50.0 109.904 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -120.07 36.29 4.58 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.922 0.868 . . . . 50.0 110.93 -172.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.56 163.24 27.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 113.907 -1.497 . . . . 50.0 108.051 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.5 p -91.65 171.88 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -66.41 -33.57 76.0 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.351 -0.611 . . . . 50.0 109.351 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.148 0.579 . . . . 75.0 111.447 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -65.24 -36.66 84.83 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.567 0.698 . . . . 50.0 109.519 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.37 -38.36 40.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.99 -39.97 94.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.495 0.664 . . . . 50.0 110.325 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 110.573 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.9 mtm -64.08 -31.99 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.096 -0.378 . . . . 75.0 111.757 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.09 -40.25 78.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.76 -35.73 73.23 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.213 0.82 . . . . 50.0 113.213 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.72 -18.66 62.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 111.736 0.272 . . . . 50.0 111.736 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.03 -22.62 13.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.852 0.358 . . . . 25.0 111.811 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -83.28 79.31 9.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.075 0.94 . . . . 50.0 112.049 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.42 -40.76 89.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.996 -1.002 . . . . 50.0 110.953 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -81.82 -14.79 55.86 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.216 1.191 . . . . 50.0 114.216 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.67 18.12 71.38 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 117.651 1.82 . . . . 50.0 117.651 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.09 -1.14 56.52 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.188 1.494 . . . . 50.0 114.291 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.19 6.26 71.68 Favored Glycine 0 N--CA 1.461 0.336 0 C-N-CA 121.416 -0.421 . . . . 50.0 113.69 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.65 167.14 22.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.416 0.627 . . . . 50.0 110.26 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.21 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.283 -1.377 . . . . 50.0 107.283 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.95 170.56 16.49 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.283 -1.747 . . . . 50.0 106.283 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.64 -43.24 97.8 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.145 0.794 . . . . 50.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.44 -35.49 81.08 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.515 -0.74 . . . . 50.0 111.311 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.23 -30.01 66.97 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.645 -0.707 . . . . 50.0 110.76 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -66.53 -36.41 82.61 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.913 -0.403 . . . . 50.0 109.913 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.4 t -66.41 -40.67 87.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 108.528 -0.916 . . . . 50.0 108.528 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -62.67 -41.81 99.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.76 0.314 . . . . 50.0 110.508 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.46 -37.75 88.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 50.0 110.5 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.1 ttm . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 112.145 0.424 . . . . 25.0 112.145 -179.499 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--O 1.224 -0.27 0 CA-C-O 119.748 -0.167 . . . . 25.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -69.1 -36.46 77.57 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 118.118 0.417 . . . . 50.0 110.301 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -68.72 -43.33 76.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.198 -0.667 . . . . 50.0 109.198 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.82 81.76 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.859 0.362 . . . . 25.0 110.519 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -69.53 -43.02 73.89 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 109.908 -0.404 . . . . 50.0 109.908 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -64.66 -31.11 72.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 50.0 111.256 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.21 -36.45 83.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.6 0.715 . . . . 50.0 109.118 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.92 -35.78 21.89 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.593 -0.73 . . . . 50.0 112.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.99 86.85 4.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.936 0.874 . . . . 50.0 110.426 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -69.0 -27.6 65.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.612 0.967 . . . . 75.0 113.612 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -100.3 -11.13 20.58 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.188 0.81 . . . . 75.0 113.188 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.49 12.59 83.6 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 117.073 1.589 . . . . 25.0 117.073 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -81.7 -0.87 44.75 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.652 1.352 . . . . 50.0 114.652 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 5.23 70.37 Favored Glycine 0 CA--C 1.517 0.176 0 N-CA-C 114.664 0.626 . . . . 50.0 114.664 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 p -133.03 159.18 40.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.327 0.584 . . . . 25.0 111.835 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.7 mm -109.5 130.28 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.281 -1.748 . . . . 50.0 106.281 173.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -111.44 166.11 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 p -60.44 -35.07 74.96 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.35 -44.32 92.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.825 0.821 . . . . 50.0 110.456 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.62 -36.82 70.88 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.612 -0.722 . . . . 50.0 111.275 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -42.0 97.81 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.871 -0.788 . . . . 50.0 108.871 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.67 93.63 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-N 115.826 -0.624 . . . . 50.0 111.841 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.4 m -61.16 -45.69 93.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.123 0.462 . . . . 25.0 109.975 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.95 -42.84 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 109.689 -0.486 . . . . 50.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.2 mmm -61.95 -39.37 91.87 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.76 -0.588 . . . . 50.0 111.405 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -72.03 -26.12 62.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.886 -0.509 . . . . 50.0 111.859 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -71.42 -29.04 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.622 -0.51 . . . . 50.0 109.622 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.73 -10.45 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.303 -0.408 . . . . 50.0 110.575 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 9.26 64.27 Favored Glycine 0 C--O 1.235 0.214 0 CA-C-N 116.352 -0.385 . . . . 50.0 113.769 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -76.52 165.14 25.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.36 0.58 . . . . 50.0 111.387 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -123.52 58.02 12.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 115.826 -0.624 . . . . 50.0 112.283 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.28 162.31 36.6 Favored 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 115.677 -2.415 . . . . 50.0 113.504 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.3 p -89.13 156.75 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.538 -2.023 . . . . 25.0 105.538 172.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.18 -20.01 63.15 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.475 -0.89 . . . . 25.0 110.081 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.0 80.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.032 -0.359 . . . . 25.0 110.032 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.35 -39.9 81.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.105 0.955 . . . . 50.0 109.097 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.62 -31.53 72.28 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.642 -0.662 . . . . 50.0 109.801 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -69.22 -44.15 72.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 118.904 -0.569 . . . . 50.0 110.702 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.82 -31.9 72.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.426 1.012 . . . . 50.0 110.187 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mtp -65.02 -27.92 69.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.026 0.38 . . . . 50.0 112.026 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -43.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.212 -0.292 . . . . 50.0 110.212 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.49 -26.57 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.279 0.632 . . . . 50.0 110.523 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.36 -29.5 34.71 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.965 0.728 . . . . 50.0 112.965 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 t -120.81 -30.29 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 112.065 0.394 . . . . 50.0 112.065 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -77.7 59.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.766 0.826 . . . . 50.0 113.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.16 66.57 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.052 -0.405 . . . . 25.0 111.218 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -78.35 -17.54 56.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.837 0.455 . . . . 50.0 111.137 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.56 78.87 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 116.422 1.329 . . . . 50.0 116.422 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.619 HD22 ' HG1' ' A' ' 62' ' ' THR . 0.8 OUTLIER -80.33 -4.38 53.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.789 1.295 . . . . 50.0 112.594 -178.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.6 1.15 81.07 Favored Glycine 0 C--O 1.236 0.263 0 N-CA-C 115.581 0.992 . . . . 50.0 115.581 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.619 ' HG1' HD22 ' A' ' 60' ' ' ASN . 39.7 p -133.8 160.35 37.87 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 117.839 0.82 . . . . 25.0 112.946 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.5 mt -109.28 104.48 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.429 -2.063 . . . . 50.0 105.429 172.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.22 170.28 16.89 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.006 -1.109 . . . . 50.0 108.006 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -50.81 -49.22 80.97 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 115.669 1.729 . . . . 50.0 115.669 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.82 -23.04 26.42 Favored 'Trans proline' 0 C--N 1.355 0.871 1 C-N-CA 112.731 -4.379 . . . . 50.0 113.636 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -74.99 -28.69 60.64 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.664 -0.865 . . . . 50.0 108.664 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -70.87 -36.28 72.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.032 -0.729 . . . . 50.0 109.032 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.35 -39.37 93.75 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.37 -40.69 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.158 0.504 . . . . 25.0 110.577 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 ttt . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.185 0.517 . . . . 50.0 110.216 178.332 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 108.541 -0.911 . . . . 50.0 108.541 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -65.76 -41.16 92.44 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.975 -0.453 . . . . 50.0 110.376 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.3 -48.06 79.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.945 -0.702 . . . . 50.0 110.145 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.05 79.33 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.17 0.509 . . . . 25.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -62.46 -45.71 91.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.465 -0.334 . . . . 50.0 110.36 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -72.25 -15.59 61.92 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 113.699 1.0 . . . . 50.0 113.699 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.64 -41.57 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.473 -1.306 . . . . 50.0 107.473 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.08 -45.73 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 25.0 110.455 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -85.82 58.34 4.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.076 0.941 . . . . 50.0 109.379 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.27 -24.49 67.89 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.838 1.422 . . . . 50.0 114.838 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -94.21 4.02 54.46 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.193 -0.317 . . . . 25.0 111.824 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.2 27.03 72.51 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 118.243 2.057 . . . . 25.0 118.243 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -65.65 -27.0 68.05 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.264 1.532 . . . . 50.0 112.679 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.81 5.0 64.87 Favored Glycine 0 C--N 1.32 -0.317 0 N-CA-C 109.018 -1.633 . . . . 50.0 109.018 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -144.99 145.76 31.65 Favored 'General case' 0 C--O 1.251 1.166 0 C-N-CA 123.67 0.788 . . . . 50.0 111.868 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.5 mt -106.93 118.8 55.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 N-CA-C 106.04 -1.837 . . . . 50.0 106.04 170.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -91.24 163.68 14.16 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.87 83.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 25.0 110.176 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.96 94.53 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.253 0.549 . . . . 25.0 110.938 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -73.07 -40.2 65.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.414 -0.357 . . . . 50.0 110.2 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.87 -44.56 96.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.357 -0.979 . . . . 50.0 108.357 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.04 -34.02 75.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.396 0.517 . . . . 50.0 112.396 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -62.83 -45.76 91.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.332 -0.618 . . . . 50.0 109.332 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.36 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.041 -0.527 . . . . 50.0 109.702 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.8 mtt -58.02 -42.61 85.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 50.0 111.61 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -62.11 -36.37 81.53 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.001 -0.437 . . . . 25.0 110.529 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -73.3 -26.54 61.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.729 0.299 . . . . 25.0 110.91 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.95 -17.41 59.75 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.024 0.44 . . . . 75.0 110.129 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.91 -2.74 55.58 Favored Glycine 0 C--O 1.238 0.396 0 CA-C-N 115.972 -0.558 . . . . 50.0 112.049 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.66 157.73 34.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -139.28 56.92 1.66 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.149 0.426 . . . . 50.0 112.149 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.94 159.25 34.56 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.486 -0.931 . . . . 50.0 108.486 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.1 p -89.39 168.58 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -64.21 -35.21 80.05 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.56 -35.13 76.98 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 112.435 0.532 . . . . 75.0 112.435 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.83 -40.59 83.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.29 -40.51 82.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.752 -0.833 . . . . 50.0 108.752 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.41 -43.85 96.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.783 0.325 . . . . 50.0 110.618 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -62.77 -43.96 97.44 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.048 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.2 mtp -64.45 -33.61 76.29 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.602 0.593 . . . . 75.0 112.602 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.02 -40.04 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.656 -0.498 . . . . 50.0 109.656 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -58.46 -35.09 71.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.999 1.111 . . . . 50.0 113.999 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.74 -19.68 65.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.646 0.26 . . . . 50.0 111.436 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.11 -19.88 13.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.86 0.362 . . . . 25.0 111.544 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -82.92 82.22 8.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.05 -43.88 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.453 -0.794 . . . . 50.0 112.06 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -87.62 -6.11 58.43 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.155 1.168 . . . . 50.0 114.155 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.17 78.97 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.909 1.124 . . . . 50.0 115.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.01 -0.59 55.9 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.566 1.321 . . . . 50.0 114.566 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 7.92 84.86 Favored Glycine 0 C--O 1.239 0.411 0 O-C-N 121.867 -0.521 . . . . 50.0 113.81 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -134.97 167.11 21.53 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.256 0.551 . . . . 50.0 110.204 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.11 116.96 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.066 -1.457 . . . . 50.0 107.066 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.76 167.07 21.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 105.158 -2.164 . . . . 50.0 105.158 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -60.14 -45.47 92.92 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 119.531 -0.868 . . . . 50.0 112.032 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -62.93 -38.68 91.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.529 0.681 . . . . 50.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -33.87 76.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.423 -0.808 . . . . 50.0 111.156 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -70.21 -36.1 74.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.129 -0.357 . . . . 50.0 110.378 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.99 -42.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.146 -1.057 . . . . 50.0 108.146 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -61.75 -45.6 93.23 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.09 -20.76 66.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.459 0.647 . . . . 50.0 111.572 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.2 ttm . . . . . 0 C--N 1.322 -0.607 0 O-C-N 121.26 -0.9 . . . . 25.0 111.786 177.779 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 N--CA 1.441 -0.905 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -65.79 -41.85 91.47 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.658 0.663 . . . . 50.0 109.892 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.33 -39.6 74.65 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.827 -0.749 . . . . 50.0 109.084 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.76 81.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.64 -44.8 89.31 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.859 -0.793 . . . . 50.0 108.859 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -64.05 -27.14 68.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 50.0 111.206 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.88 -32.03 63.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.628 -0.26 . . . . 50.0 110.819 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.49 -30.28 23.58 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.852 0.358 . . . . 50.0 111.325 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -83.6 92.36 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.676 0.75 . . . . 50.0 109.6 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -76.37 -24.52 54.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.722 1.008 . . . . 75.0 113.722 -170.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -108.09 -10.64 15.42 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.914 0.709 . . . . 75.0 112.914 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.04 22.54 65.54 Favored Glycine 0 C--O 1.225 -0.456 0 N-CA-C 115.746 1.058 . . . . 25.0 115.746 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.85 -7.82 59.63 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.72 1.007 . . . . 50.0 113.72 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.37 1.59 57.93 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 114.729 0.652 . . . . 50.0 114.729 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -131.95 161.05 34.05 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.946 0.873 . . . . 25.0 112.131 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mm -116.72 120.16 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 105.281 -2.118 . . . . 50.0 105.281 173.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.482 ' HG1' ' N ' ' A' ' 29' ' ' THR . 9.9 t -101.11 165.75 11.15 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.482 ' N ' ' HG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -54.6 -34.1 61.47 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.825 -0.547 . . . . 25.0 111.766 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -64.29 -39.4 93.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.01 -0.431 . . . . 50.0 111.368 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.48 -43.83 54.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.13 -44.63 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 50.0 110.641 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.2 83.38 Favored Glycine 0 C--O 1.225 -0.459 0 CA-C-N 115.683 -0.69 . . . . 50.0 112.861 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.9 m -66.68 -46.65 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.663 0.731 . . . . 25.0 109.826 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.81 -36.78 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.937 0.398 . . . . 50.0 110.152 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -66.51 -31.06 71.55 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.27 -0.894 . . . . 50.0 112.083 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -73.91 -23.53 59.57 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.167 -0.958 . . . . 50.0 111.111 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -21.7 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.789 0.328 . . . . 50.0 110.639 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -91.28 10.25 28.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.26 -0.427 . . . . 50.0 110.814 173.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.73 7.79 83.8 Favored Glycine 0 CA--C 1.517 0.163 0 N-CA-C 114.546 0.578 . . . . 50.0 114.546 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.76 143.11 30.2 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.272 -0.546 . . . . 50.0 110.095 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -124.79 52.91 6.65 Favored Pre-proline 0 CA--C 1.551 1.012 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.22 164.52 31.0 Favored 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 116.128 -2.115 . . . . 50.0 113.251 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.4 p -76.52 164.71 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.33 -22.87 62.76 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.048 -0.407 . . . . 25.0 110.925 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -42.9 71.69 Favored 'General case' 0 C--O 1.208 -1.117 0 N-CA-C 109.913 -0.402 . . . . 25.0 109.913 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.34 -39.82 94.66 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.282 -0.636 . . . . 50.0 109.282 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.41 -33.5 75.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.103 -0.373 . . . . 50.0 110.766 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.61 -42.89 70.35 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 110.303 -0.258 . . . . 50.0 110.303 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.19 -35.91 76.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 50.0 110.41 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.0 mtt -67.28 -25.77 66.21 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 111.985 0.365 . . . . 50.0 111.985 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -80.92 -47.08 20.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.703 -1.221 . . . . 50.0 107.703 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.87 -32.86 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 120.798 0.332 . . . . 50.0 110.392 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.02 -21.6 59.32 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.972 1.471 . . . . 50.0 114.972 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.55 -13.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.511 1.3 . . . . 50.0 114.511 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -77.73 65.51 3.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 50.0 112.954 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -24.34 67.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -89.47 -7.17 55.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.22 73.79 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 116.444 1.337 . . . . 50.0 116.444 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -2.13 50.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.632 1.216 . . . . 50.0 113.669 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.44 -1.6 86.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 115.579 0.992 . . . . 50.0 115.579 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.3 p -133.91 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.073 0.936 . . . . 25.0 111.048 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.8 mt -84.91 121.48 36.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.11 -1.811 . . . . 50.0 106.11 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 178.97 4.41 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.985 -1.117 . . . . 50.0 107.985 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.57 -55.54 22.07 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 115.935 1.828 . . . . 50.0 115.935 -171.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.24 -26.08 30.38 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 113.513 -3.858 . . . . 50.0 114.62 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.43 -33.24 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.956 -0.465 . . . . 50.0 109.924 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.7 -42.35 77.87 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.694 -0.484 . . . . 50.0 109.694 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.97 -42.64 94.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -64.35 -41.71 96.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.828 -0.169 . . . . 25.0 111.401 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.0 ttm . . . . . 0 N--CA 1.471 0.613 0 O-C-N 121.825 -0.547 . . . . 50.0 111.582 -179.289 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--O 1.224 -0.259 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -65.31 -42.37 93.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.197 -0.314 . . . . 50.0 111.706 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.43 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.95 86.24 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.88 -45.26 93.39 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.271 -0.268 . . . . 50.0 110.529 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -70.07 -22.64 63.04 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.834 0.679 . . . . 50.0 112.834 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.57 -38.09 81.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.461 -0.94 . . . . 50.0 108.461 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -87.98 -39.31 14.8 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.576 -0.45 . . . . 25.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -81.66 76.44 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.009 0.909 . . . . 50.0 110.339 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -66.24 -23.72 66.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.214 -0.903 . . . . 50.0 112.138 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -75.72 -24.6 56.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.406 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.14 13.12 79.61 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.24 2.17 52.89 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.469 1.655 . . . . 50.0 115.469 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 4.19 68.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 116.238 1.255 . . . . 50.0 116.238 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.56 143.64 35.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.614 -0.513 . . . . 50.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 mt -110.62 111.07 34.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 108.071 -1.085 . . . . 50.0 108.071 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.6 p -82.93 161.58 21.78 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.508 -0.745 . . . . 50.0 109.888 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.22 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.891 0.377 . . . . 25.0 111.067 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.56 83.28 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.341 0.591 . . . . 25.0 110.914 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -69.87 -41.91 74.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.911 -0.586 . . . . 50.0 110.081 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -45.98 89.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.211 -1.033 . . . . 50.0 108.211 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -58.38 -37.86 76.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 50.0 110.354 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -62.67 -45.6 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.126 0.489 . . . . 50.0 110.456 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.99 -47.0 92.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.101 -0.333 . . . . 50.0 110.101 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.08 -39.3 81.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.565 0.58 . . . . 50.0 112.565 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.5 m -63.06 -42.16 99.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -71.89 -24.95 61.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.739 0.304 . . . . 25.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.6 mt -76.85 -19.66 57.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.022 0.529 . . . . 75.0 110.546 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.48 24.42 31.04 Favored Glycine 0 C--O 1.242 0.617 0 C-N-CA 121.287 -0.482 . . . . 50.0 113.239 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.89 163.98 18.41 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.685 0.755 . . . . 50.0 112.632 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -129.45 57.53 1.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.749 . . . . 50.0 111.75 -173.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.85 162.48 22.09 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 105.634 -1.987 . . . . 50.0 105.634 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.6 p -93.44 167.93 11.39 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.23 -32.94 74.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.325 -0.62 . . . . 50.0 109.325 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.21 -32.19 69.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.539 -0.755 . . . . 75.0 111.403 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.35 -35.31 73.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.07 -38.21 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.987 -0.745 . . . . 50.0 108.987 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.98 -48.24 82.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.03 -37.83 83.95 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.591 -0.693 . . . . 25.0 112.102 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.92 -32.32 73.59 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.976 -0.452 . . . . 75.0 111.966 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -75.96 -41.17 38.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.131 -0.322 . . . . 50.0 110.131 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.84 -35.49 70.98 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.817 1.414 . . . . 50.0 114.817 -174.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.8 -25.21 64.58 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.624 0.249 . . . . 50.0 111.517 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.13 -17.11 14.25 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -82.73 82.1 8.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.75 0.786 . . . . 50.0 111.979 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.17 -40.54 87.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.837 -1.074 . . . . 50.0 111.826 -177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -86.18 -14.68 43.31 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.762 1.023 . . . . 50.0 113.762 -176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.16 17.92 77.36 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 116.274 1.27 . . . . 50.0 116.274 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -83.27 -0.65 50.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.145 1.165 . . . . 50.0 114.145 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.05 10.75 77.81 Favored Glycine 0 C--O 1.247 0.923 0 C-N-CA 120.969 -0.634 . . . . 50.0 113.052 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -135.84 162.36 33.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.69 0.757 . . . . 50.0 110.261 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.05 118.1 49.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 106.226 -1.768 . . . . 50.0 106.226 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -79.11 171.12 15.64 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 105.469 -2.049 . . . . 50.0 105.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.14 -43.45 95.71 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.805 -0.758 . . . . 50.0 111.929 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.22 -40.91 97.02 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.527 0.679 . . . . 50.0 111.774 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -66.29 -32.65 74.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.883 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -67.7 -34.94 77.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.166 -0.334 . . . . 50.0 110.81 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.22 -40.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 107.992 -1.114 . . . . 50.0 107.992 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -62.8 -43.36 99.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 120.747 -0.381 . . . . 50.0 110.347 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.4 ttt -66.01 -19.07 65.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.779 0.659 . . . . 50.0 112.779 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 tpp . . . . . 0 C--N 1.322 -0.597 0 O-C-N 121.836 -0.54 . . . . 25.0 110.913 178.068 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 120.502 0.192 . . . . 25.0 111.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -66.12 -37.3 85.39 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.925 -0.398 . . . . 50.0 109.925 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -40.78 90.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.714 -0.476 . . . . 50.0 109.714 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.12 80.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.84 0.352 . . . . 25.0 110.86 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -67.92 -42.94 80.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 50.0 110.04 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -66.96 -19.78 65.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.168 0.509 . . . . 50.0 111.012 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.92 -23.38 62.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.308 -0.406 . . . . 50.0 110.455 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.23 -42.31 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 122.296 0.239 . . . . 50.0 111.417 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -74.66 96.82 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.83 0.824 . . . . 50.0 111.454 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -80.0 -24.46 40.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.54 -0.755 . . . . 75.0 111.627 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -76.01 -27.93 57.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 75.0 110.939 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.32 27.59 61.44 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.203 -0.523 . . . . 25.0 112.122 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -107.67 -1.13 21.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.804 1.039 . . . . 50.0 113.804 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 9.94 65.13 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 115.167 0.827 . . . . 50.0 115.167 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -131.43 156.65 45.24 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.712 0.756 . . . . 25.0 112.118 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mt -119.58 120.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 107.169 -1.419 . . . . 50.0 107.169 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -111.6 169.67 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -56.67 -33.57 66.52 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.665 0.666 . . . . 25.0 112.644 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -58.29 -43.78 88.17 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.773 0.797 . . . . 50.0 110.629 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.12 -41.06 43.51 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.642 -0.708 . . . . 50.0 110.91 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.51 -46.14 91.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 50.0 109.343 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.72 -32.63 84.84 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 116.168 -0.469 . . . . 50.0 112.691 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.6 m -64.44 -39.88 94.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.124 0.462 . . . . 25.0 109.864 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.68 -43.03 62.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 121.954 -0.466 . . . . 50.0 110.358 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.35 -44.37 95.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.926 -0.484 . . . . 50.0 112.122 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -71.26 -20.37 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.403 -0.811 . . . . 50.0 112.223 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -76.72 -21.76 54.85 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.881 -0.512 . . . . 50.0 109.7 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.48 -5.96 59.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.367 -0.605 . . . . 50.0 109.367 174.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.13 6.66 68.83 Favored Glycine 0 C--O 1.226 -0.353 0 CA-C-N 116.09 -0.504 . . . . 50.0 113.428 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -77.11 150.89 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -116.57 59.55 2.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 122.953 0.501 . . . . 50.0 111.904 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.01 158.48 45.84 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 116.199 -2.068 . . . . 50.0 113.676 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.9 p -83.48 162.68 20.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -67.37 -31.13 71.16 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.394 -0.816 . . . . 25.0 110.741 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.76 76.22 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.91 -41.53 91.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.426 0.631 . . . . 50.0 109.624 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.57 -37.11 82.17 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.407 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.63 -41.37 65.57 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.651 -0.25 . . . . 50.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.92 -33.24 74.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 50.0 109.239 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.03 -24.79 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.047 0.451 . . . . 50.0 111.164 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -83.7 -45.48 18.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 N-CA-C 109.0 -0.741 . . . . 50.0 109.0 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.3 mt -56.52 -38.27 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.364 0.266 . . . . 50.0 111.084 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.27 -19.22 32.54 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.903 1.446 . . . . 50.0 114.903 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.8 -3.97 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 113.796 1.035 . . . . 50.0 113.796 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.78 56.64 2.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.504 0.721 . . . . 50.0 112.486 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.22 -16.45 60.22 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.64 -0.26 40.62 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.143 0.423 . . . . 50.0 112.143 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 16.56 67.53 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.973 1.549 . . . . 50.0 116.973 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -84.31 3.62 34.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.9 1.444 . . . . 50.0 114.9 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.19 7.44 88.45 Favored Glycine 0 C--O 1.24 0.492 0 N-CA-C 115.489 0.955 . . . . 50.0 115.489 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.1 p -141.55 162.93 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.146 0.473 . . . . 25.0 111.388 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.1 mt -93.12 113.92 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.95 -1.87 . . . . 50.0 105.95 172.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.13 172.18 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.475 -0.935 . . . . 50.0 108.475 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.09 -46.03 99.74 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 116.347 1.98 . . . . 50.0 116.347 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.91 -21.33 24.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.415 -3.924 . . . . 50.0 113.686 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -77.45 -31.06 53.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.793 -0.818 . . . . 50.0 108.793 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -65.8 -35.67 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 173.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.79 -36.11 77.86 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.357 -0.383 . . . . 50.0 110.787 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.85 -40.76 92.03 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.952 -0.468 . . . . 25.0 109.919 174.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 ttp . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.47 0.652 . . . . 50.0 109.964 177.308 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.9 mt . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -65.81 -40.48 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.0 -0.438 . . . . 50.0 110.932 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -66.85 -37.25 84.11 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.288 -0.565 . . . . 50.0 110.667 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.27 86.98 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.976 -0.452 . . . . 25.0 110.584 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.88 -43.27 98.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.09 -17.61 64.61 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.573 1.323 . . . . 50.0 114.573 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.34 -37.39 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.505 -0.924 . . . . 50.0 108.505 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.38 -38.63 13.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.1 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 54.42 2.74 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.438 1.113 . . . . 50.0 108.633 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -69.03 -8.93 49.66 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.547 1.314 . . . . 50.0 114.547 -174.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -91.91 -8.13 47.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.595 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.53 16.79 79.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 117.967 1.947 . . . . 25.0 117.967 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -89.37 1.39 55.87 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.38 1.622 . . . . 50.0 115.38 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.64 3.27 66.63 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.533 0.973 . . . . 50.0 115.533 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -139.06 141.19 38.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.152 0.476 . . . . 50.0 110.684 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -98.08 105.13 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.022 -1.473 . . . . 50.0 107.022 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.1 p -79.56 161.59 25.87 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.687 -0.633 . . . . 50.0 109.565 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -35.54 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.635 0.731 . . . . 25.0 109.569 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.48 87.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.267 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.14 -43.0 65.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.362 -0.211 . . . . 50.0 110.887 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -47.68 83.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.468 -0.493 . . . . 50.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.745 -0.597 . . . . 50.0 111.704 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -68.26 -43.24 78.28 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.92 -0.77 . . . . 50.0 108.92 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.44 -44.33 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.855 -0.795 . . . . 50.0 108.855 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.2 mmt -60.4 -41.31 93.62 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.508 0.559 . . . . 50.0 112.508 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.14 -38.25 90.45 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.968 -0.457 . . . . 25.0 110.574 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.12 -26.15 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.296 . . . . 25.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.42 -20.39 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.701 0.401 . . . . 75.0 110.498 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.28 2.82 57.82 Favored Glycine 0 C--O 1.239 0.435 0 CA-C-N 116.077 -0.511 . . . . 50.0 112.389 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.58 150.8 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.231 0.539 . . . . 50.0 110.144 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -127.69 48.57 2.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.966 -0.561 . . . . 50.0 112.429 -172.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.32 156.36 39.6 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.34 -1.726 . . . . 50.0 106.34 174.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -85.59 163.22 18.48 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -64.39 -30.21 71.26 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.13 -37.28 83.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 75.0 111.603 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -65.79 -38.22 88.41 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.258 0.552 . . . . 50.0 109.7 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.46 -38.56 74.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 N-CA-C 109.089 -0.708 . . . . 50.0 109.089 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.004 0.431 . . . . 50.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.12 -43.1 95.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.076 0.465 . . . . 25.0 110.521 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 mtt -67.95 -34.48 76.66 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.7 0.63 . . . . 75.0 112.7 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.44 -43.55 48.97 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.0 mtm105 -63.84 -29.78 70.94 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 115.75 1.759 . . . . 50.0 115.75 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.17 -24.19 62.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.536 0.607 . . . . 50.0 110.606 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.01 -20.7 17.24 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.694 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -83.54 76.4 9.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.812 0.815 . . . . 50.0 111.509 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.39 -40.81 89.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.756 -1.111 . . . . 50.0 111.377 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -82.47 -13.13 57.22 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.999 1.111 . . . . 50.0 113.999 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.98 79.86 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 117.65 1.82 . . . . 50.0 117.65 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.71 -0.91 52.8 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.768 1.396 . . . . 50.0 114.768 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.2 8.49 74.98 Favored Glycine 0 C--O 1.247 0.966 0 C-N-CA 121.504 -0.379 . . . . 50.0 113.741 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.92 164.98 27.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.21 0.528 . . . . 50.0 109.816 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.6 t -102.1 116.27 45.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 107.435 -1.32 . . . . 50.0 107.435 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.13 173.35 12.68 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.283 -1.747 . . . . 50.0 106.283 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.22 -44.51 97.15 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.622 -0.674 . . . . 50.0 112.736 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.3 -42.84 99.7 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.334 1.064 . . . . 50.0 110.904 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.31 -30.02 70.83 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.688 -1.142 . . . . 50.0 111.487 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -68.33 -34.92 76.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.816 -0.553 . . . . 50.0 110.657 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 83.1 t -68.65 -39.06 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.219 -1.03 . . . . 50.0 108.219 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -61.47 -42.15 98.34 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 122.076 -0.39 . . . . 50.0 109.97 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.1 ttt -67.48 -19.32 65.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.567 0.699 . . . . 50.0 112.322 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.1 ttm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 121.905 -0.497 . . . . 25.0 111.154 179.414 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--O 1.221 -0.432 0 N-CA-C 114.695 1.369 . . . . 25.0 114.695 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -71.16 -22.74 62.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.067 0.849 . . . . 50.0 110.564 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -77.58 -44.71 27.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.251 -1.018 . . . . 50.0 108.251 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -33.83 74.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.755 0.312 . . . . 25.0 110.307 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -67.05 -42.73 84.31 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.762 -0.459 . . . . 50.0 109.762 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -65.12 -17.91 64.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.108 0.41 . . . . 50.0 112.108 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.76 -25.26 53.23 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-O 121.987 0.898 . . . . 50.0 110.032 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -94.85 -42.75 8.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.047 -0.979 . . . . 50.0 111.998 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -74.33 104.78 5.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.516 0.674 . . . . 50.0 109.316 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -75.8 -19.29 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.998 1.111 . . . . 75.0 113.998 -172.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -115.08 -12.9 11.88 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.998 1.11 . . . . 75.0 113.998 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.53 12.73 82.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 117.604 1.801 . . . . 25.0 117.604 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.17 -8.05 56.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.657 1.355 . . . . 50.0 114.657 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 2.9 52.36 Favored Glycine 0 C--O 1.229 -0.204 0 N-CA-C 114.782 0.673 . . . . 50.0 114.782 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -134.57 157.2 47.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.02 0.438 . . . . 25.0 110.074 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.7 mt -115.01 115.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 105.621 -1.992 . . . . 50.0 105.621 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -86.01 166.09 16.16 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -61.53 -30.88 70.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.875 -0.516 . . . . 25.0 109.86 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.07 -44.15 89.9 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.403 0.62 . . . . 50.0 110.692 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.6 -40.02 76.9 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.78 -45.69 93.4 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.763 -0.828 . . . . 50.0 108.763 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -33.55 87.54 Favored Glycine 0 C--O 1.222 -0.616 0 CA-C-N 115.948 -0.569 . . . . 50.0 112.998 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.2 m -68.17 -42.53 79.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.881 -0.776 . . . . 25.0 110.362 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.31 -41.13 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.6 mmt -56.81 -47.47 80.18 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.422 0.289 . . . . 50.0 110.572 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.43 -35.93 80.78 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.057 0.391 . . . . 50.0 112.057 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -67.54 -26.54 66.37 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.385 0.612 . . . . 50.0 111.276 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.35 -1.32 57.83 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.838 0.855 . . . . 50.0 110.953 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.31 5.71 75.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.196 -0.526 . . . . 50.0 113.916 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -92.38 146.21 23.87 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.901 -0.777 . . . . 50.0 108.901 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -133.79 70.42 75.28 Favored Pre-proline 0 N--CA 1.479 0.981 0 O-C-N 121.859 -0.525 . . . . 50.0 111.474 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.76 168.3 24.9 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 120.511 0.808 . . . . 50.0 112.204 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -81.8 163.62 22.23 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.049 -1.463 . . . . 25.0 107.049 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -67.14 -28.11 67.87 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.187 -0.605 . . . . 25.0 110.646 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.16 78.41 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -65.21 -38.22 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 122.558 1.171 . . . . 50.0 109.239 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.79 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.524 -0.735 . . . . 50.0 109.404 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -67.88 -44.03 77.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.52 -0.752 . . . . 50.0 111.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.18 -32.27 72.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.578 1.081 . . . . 50.0 109.949 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.73 -24.88 63.62 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.402 0.519 . . . . 50.0 112.402 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mm -77.25 -52.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.575 -1.269 . . . . 50.0 107.575 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.97 -27.83 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.41 0.684 . . . . 50.0 112.459 -174.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.1 -32.61 55.39 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.563 0.579 . . . . 50.0 112.563 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 m -119.5 -12.02 10.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 N-CA-C 114.022 1.119 . . . . 50.0 114.022 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.6 49.07 0.98 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.928 0.891 . . . . 50.0 110.697 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.17 58.75 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.441 -0.787 . . . . 25.0 112.09 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -85.21 -6.36 59.28 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.523 -0.308 . . . . 50.0 111.021 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 19.96 71.22 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 116.109 1.204 . . . . 50.0 116.109 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.46 -3.69 59.0 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.692 1.367 . . . . 50.0 114.692 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.72 0.09 76.01 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 116.945 1.538 . . . . 50.0 116.945 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -142.93 151.87 41.43 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.426 1.113 . . . . 25.0 113.045 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.6 mt -81.93 111.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 106.24 -1.763 . . . . 50.0 106.24 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -87.73 172.43 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.147 -1.056 . . . . 50.0 108.147 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -54.25 -49.34 90.9 Favored Pre-proline 0 CA--C 1.565 1.552 0 N-CA-C 115.435 1.643 . . . . 50.0 115.435 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 -23.18 32.48 Favored 'Trans proline' 0 C--N 1.356 0.944 1 C-N-CA 112.801 -4.333 . . . . 50.0 114.311 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -75.51 -33.05 60.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.23 0.538 . . . . 50.0 110.214 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.85 -37.98 85.5 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.393 -0.817 . . . . 50.0 109.126 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.35 -40.51 96.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.305 -0.861 . . . . 50.0 109.295 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -65.87 -37.32 85.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.748 -0.595 . . . . 25.0 111.034 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.1 ttm . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 109.185 -0.672 . . . . 50.0 109.185 177.325 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 107.044 -1.465 . . . . 50.0 107.044 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -61.22 -41.33 96.66 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.58 -0.7 . . . . 50.0 112.484 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.77 -47.65 77.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.25 -0.58 . . . . 50.0 109.984 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.82 95.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.175 0.297 . . . . 25.0 111.536 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.5 -42.32 99.42 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.319 0.581 . . . . 50.0 110.205 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 mtm105 -70.8 -11.23 60.83 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.305 1.224 . . . . 50.0 114.305 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.1 t -68.48 -43.24 83.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.694 -1.225 . . . . 50.0 107.694 172.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.41 -45.93 12.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.502 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -80.12 62.28 4.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.211 1.005 . . . . 50.0 109.594 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -70.62 -22.05 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.372 -0.831 . . . . 50.0 113.1 -173.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -88.51 -9.41 52.48 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.852 0.358 . . . . 25.0 110.832 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.55 31.38 70.88 Favored Glycine 0 C--O 1.229 -0.178 0 N-CA-C 116.875 1.51 . . . . 25.0 116.875 173.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -92.45 2.76 56.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.322 0.86 . . . . 50.0 113.322 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.24 2.65 73.65 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 115.477 0.951 . . . . 50.0 115.477 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -138.94 158.09 44.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.322 -0.517 . . . . 50.0 111.428 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.7 mt -115.99 114.34 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 105.857 -1.905 . . . . 50.0 105.857 171.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.56 163.96 20.07 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.759 -1.2 . . . . 50.0 107.759 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.85 70.84 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.747 0.784 . . . . 25.0 110.115 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.44 84.91 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.507 -0.77 . . . . 25.0 110.53 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -69.34 -40.13 77.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.14 -0.35 . . . . 50.0 110.237 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -45.21 91.53 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.351 -0.611 . . . . 50.0 109.351 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -63.03 -35.5 80.43 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.658 -0.246 . . . . 50.0 110.895 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -60.73 -49.81 75.98 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 110.038 -0.356 . . . . 50.0 110.038 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.96 -45.82 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.361 -0.382 . . . . 50.0 110.696 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.9 mtt -61.52 -40.52 94.93 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.428 0.899 . . . . 50.0 113.428 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 42.3 m -62.79 -38.7 91.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.407 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.87 -28.03 63.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.48 -21.81 52.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.393 -0.367 . . . . 75.0 110.248 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.79 24.36 35.78 Favored Glycine 0 C--O 1.248 0.986 0 O-C-N 123.732 0.645 . . . . 50.0 111.732 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.21 159.24 31.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.776 0.798 . . . . 50.0 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -131.51 88.12 2.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.192 0.812 . . . . 50.0 113.192 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -124.8 158.54 33.11 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 103.137 -2.912 . . . . 50.0 103.137 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -83.11 166.36 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.13 -33.25 74.13 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 121.676 -0.64 . . . . 50.0 110.47 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.89 -35.38 69.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.778 0.323 . . . . 75.0 111.324 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -66.67 -39.57 88.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.136 0.493 . . . . 50.0 110.311 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -68.4 -35.13 69.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 O-C-N 121.321 -0.862 . . . . 50.0 110.404 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -65.09 -41.35 95.09 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.797 -0.816 . . . . 50.0 108.797 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.35 -46.28 89.39 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 123.235 0.614 . . . . 25.0 111.357 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtp -61.08 -38.28 85.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.309 0.576 . . . . 75.0 111.464 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -72.98 -41.44 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -64.43 -35.19 80.11 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.739 1.014 . . . . 50.0 113.739 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.24 -14.28 60.9 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.816 0.734 . . . . 50.0 110.977 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.78 -28.67 13.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.64 -0.255 . . . . 25.0 111.469 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -80.38 76.92 7.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.591 0.71 . . . . 50.0 111.929 -175.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.9 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 123.943 0.897 . . . . 50.0 111.205 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.68 -10.23 57.5 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.21 1.189 . . . . 50.0 114.21 -176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.05 16.54 79.66 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 118.049 1.98 . . . . 50.0 118.049 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.07 -4.84 59.05 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.656 1.354 . . . . 50.0 114.656 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.56 6.24 68.28 Favored Glycine 0 C--O 1.249 1.091 0 O-C-N 121.316 -0.865 . . . . 50.0 113.53 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.84 164.38 27.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 121.48 0.657 . . . . 50.0 109.883 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.3 t -101.66 115.18 42.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 105.347 -2.094 . . . . 50.0 105.347 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -74.98 174.09 9.79 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 107.73 -1.211 . . . . 50.0 107.73 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.09 -46.86 88.9 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.03 -1.044 . . . . 50.0 112.246 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.77 -38.29 90.48 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 121.93 0.871 . . . . 50.0 110.917 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.29 -26.67 64.85 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.544 -0.753 . . . . 50.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -67.76 -28.95 68.06 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.618 -0.677 . . . . 50.0 110.315 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.62 -39.85 70.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.398 -1.334 . . . . 50.0 107.398 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -62.47 -41.87 99.08 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.805 -0.442 . . . . 50.0 109.805 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.5 ttp -68.94 -19.15 64.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.033 0.444 . . . . 50.0 111.522 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 ttm . . . . . 0 CA--C 1.539 0.557 0 O-C-N 121.832 -0.543 . . . . 25.0 110.839 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 C--O 1.219 -0.506 0 N-CA-C 110.678 -0.119 . . . . 25.0 110.678 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.51 -36.74 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.592 -0.521 . . . . 50.0 109.592 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.75 -39.57 76.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.712 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.002 0.43 . . . . 25.0 110.683 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.06 -45.38 81.55 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 t -62.63 -33.9 75.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.676 0.75 . . . . 50.0 110.349 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.03 -24.21 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.596 0.591 . . . . 50.0 112.596 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.69 -35.57 14.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.98 -0.45 . . . . 50.0 110.082 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.77 84.27 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.107 0.956 . . . . 50.0 110.851 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.27 -21.42 64.81 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.442 1.275 . . . . 75.0 114.442 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -104.57 -9.61 18.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.867 0.692 . . . . 75.0 112.867 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 14.01 82.62 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 116.916 1.526 . . . . 25.0 116.916 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -82.5 -1.23 49.8 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.222 1.193 . . . . 50.0 114.222 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 6.65 68.82 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.838 0.695 . . . . 50.0 114.838 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -134.55 154.6 51.38 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 117.705 0.753 . . . . 25.0 110.677 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.3 mt -113.49 123.31 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.747 -1.205 . . . . 50.0 107.747 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -97.67 167.2 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -58.71 -33.46 70.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.633 0.73 . . . . 25.0 110.989 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -68.0 -38.46 82.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 50.0 111.02 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.66 -37.48 70.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.506 -0.315 . . . . 50.0 110.62 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.68 -41.92 99.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.0 88.75 Favored Glycine 0 C--O 1.227 -0.324 0 CA-C-N 115.698 -0.683 . . . . 50.0 112.429 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.7 m -65.04 -41.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.988 -0.713 . . . . 25.0 109.755 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.53 -42.58 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.687 -0.486 . . . . 50.0 109.687 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -63.46 -38.41 91.03 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.93 -0.481 . . . . 50.0 111.492 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -72.65 -24.14 61.0 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.941 -0.474 . . . . 50.0 112.028 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -70.52 -30.22 66.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 mt -82.09 -4.74 57.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.679 -0.691 . . . . 50.0 110.368 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.57 4.01 70.85 Favored Glycine 0 N--CA 1.458 0.146 0 N-CA-C 115.136 0.814 . . . . 50.0 115.136 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -77.13 159.58 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.142 -0.622 . . . . 50.0 111.873 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -131.84 70.68 80.9 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 122.5 0.32 . . . . 50.0 110.987 174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.72 167.46 26.31 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 118.458 -0.561 . . . . 50.0 111.184 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -87.34 162.67 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.722 -1.585 . . . . 25.0 106.722 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.87 -30.04 70.58 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.443 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.39 89.97 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.426 -0.171 . . . . 25.0 111.254 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.09 -42.91 88.69 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.832 0.825 . . . . 50.0 108.998 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.56 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.764 -0.585 . . . . 50.0 109.804 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.94 -41.87 77.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.603 -0.713 . . . . 50.0 112.353 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -31.51 66.93 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.992 1.269 . . . . 50.0 109.825 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -64.7 -24.94 67.73 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.914 -0.314 . . . . 50.0 111.384 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mm -81.4 -50.12 17.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.85 -32.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.328 0.651 . . . . 50.0 112.634 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.51 -22.72 56.06 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.23 0.538 . . . . 50.0 112.408 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -115.87 -32.05 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.198 0.523 . . . . 50.0 111.364 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -79.37 59.63 2.93 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.704 0.802 . . . . 50.0 112.74 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -23.39 66.54 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.107 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -78.99 -16.93 56.24 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.002 0.371 . . . . 50.0 112.002 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.58 13.06 83.31 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 117.397 1.719 . . . . 50.0 117.397 173.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -80.18 -0.34 35.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.503 1.652 . . . . 50.0 114.323 -176.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.66 1.56 82.93 Favored Glycine 0 C--O 1.244 0.728 0 N-CA-C 115.4 0.92 . . . . 50.0 115.4 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -133.9 160.49 37.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.7 mt -104.63 107.82 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 105.095 -2.187 . . . . 50.0 105.095 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -88.26 -179.47 6.14 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.869 -1.16 . . . . 50.0 107.869 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.89 -46.98 99.44 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 116.287 1.958 . . . . 50.0 116.287 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.62 -21.35 25.69 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 112.957 -4.229 . . . . 50.0 113.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -67.24 -37.83 84.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -39.48 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 175.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.9 m -67.39 -37.74 83.59 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.178 0.513 . . . . 25.0 111.135 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.1 ttp . . . . . 0 C--N 1.323 -0.56 0 O-C-N 121.255 -0.903 . . . . 50.0 109.926 177.2 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.452 ' HB ' ' HH ' ' A' ' 138' ' ' TYR . 73.0 mt . . . . . 0 C--O 1.236 0.355 0 N-CA-C 108.671 -0.863 . . . . 50.0 108.671 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -67.21 -34.42 77.45 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.884 0.698 . . . . 50.0 112.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.63 -44.28 96.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 118.664 0.666 . . . . 50.0 109.658 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.92 87.88 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.358 0.599 . . . . 25.0 110.423 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.37 -41.6 98.75 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.143 -0.481 . . . . 50.0 110.158 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.74 -19.14 65.78 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.018 1.118 . . . . 50.0 114.018 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.79 -39.55 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -98.24 -36.9 9.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -80.54 78.37 7.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.75 0.786 . . . . 50.0 109.773 177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -70.44 -24.03 62.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.259 -0.882 . . . . 50.0 111.141 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -70.91 -26.4 63.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.185 0.517 . . . . 25.0 110.635 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 20.95 76.79 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.881 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -94.25 1.46 55.98 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.309 1.596 . . . . 50.0 115.309 -172.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.25 0.92 62.95 Favored Glycine 0 N--CA 1.458 0.159 0 N-CA-C 115.926 1.131 . . . . 50.0 115.926 176.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -133.93 145.71 49.84 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.222 0.511 . . . . 50.0 109.932 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -105.78 126.37 61.14 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 105.01 -2.219 . . . . 50.0 105.01 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.8 p -110.34 168.13 9.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.533 -0.729 . . . . 50.0 110.777 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.42 76.92 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.218 0.532 . . . . 25.0 110.573 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.39 70.12 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.803 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -86.76 -38.67 16.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 50.0 111.102 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.17 -40.94 97.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.325 -0.62 . . . . 50.0 109.325 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -24.75 63.79 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 120.308 -0.557 . . . . 50.0 110.878 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -43.29 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.236 -0.653 . . . . 50.0 109.236 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.27 -42.64 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.999 -0.546 . . . . 50.0 109.612 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -62.09 -41.94 98.7 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.52 0.193 . . . . 50.0 111.52 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.6 m -62.6 -38.8 91.55 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.689 -0.632 . . . . 25.0 110.395 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.67 -23.53 60.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.769 0.285 . . . . 25.0 111.769 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.02 -19.33 58.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.913 0.387 . . . . 75.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.46 -11.63 36.16 Favored Glycine 0 CA--C 1.511 -0.159 0 CA-C-N 115.564 -0.744 . . . . 50.0 111.652 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.46 152.94 44.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.232 0.539 . . . . 50.0 111.274 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -136.56 61.15 1.64 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.348 0.594 . . . . 50.0 111.901 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.4 163.29 27.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.874 -1.158 . . . . 50.0 107.874 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -82.71 161.7 22.02 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 105.808 -1.923 . . . . 25.0 105.808 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.49 -30.74 71.81 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.736 -0.602 . . . . 50.0 109.944 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -68.08 -36.42 79.79 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.191 0.52 . . . . 75.0 111.585 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.7 -36.33 83.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.695 0.76 . . . . 50.0 108.986 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.73 -32.5 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.103 -0.499 . . . . 50.0 109.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.07 -40.45 96.29 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.491 -0.929 . . . . 50.0 108.491 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.13 -38.75 87.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.527 -0.306 . . . . 25.0 111.681 173.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.5 mtt -67.1 -29.91 69.79 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.869 0.366 . . . . 75.0 111.602 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.3 mm -78.91 -39.19 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.68 -33.09 69.76 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 115.2 1.556 . . . . 50.0 115.2 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -68.96 -18.72 64.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.108 -1.037 . . . . 50.0 111.224 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.65 -7.96 15.54 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.65 77.93 7.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.922 0.868 . . . . 50.0 110.619 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.29 -42.5 93.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.181 -0.918 . . . . 50.0 112.374 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.51 -4.55 57.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.109 1.152 . . . . 50.0 114.109 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.79 24.25 72.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.661 1.024 . . . . 50.0 115.661 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -85.07 1.34 48.19 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.684 1.242 . . . . 50.0 113.456 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.35 8.95 84.41 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-O 121.71 0.616 . . . . 50.0 113.601 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -139.7 164.44 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 50.0 110.603 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.97 116.02 42.34 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 104.966 -2.235 . . . . 50.0 104.966 170.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -87.19 171.75 10.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 106.713 -1.588 . . . . 50.0 106.713 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.452 ' HH ' ' HB ' ' A' ' 85' ' ' ILE . 53.3 t80 -59.5 -44.31 93.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.309 0.855 . . . . 50.0 113.309 -175.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -41.16 93.49 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.634 -0.666 . . . . 50.0 110.932 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.18 -33.81 76.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.935 -0.575 . . . . 50.0 111.099 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -35.86 81.32 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.921 -0.487 . . . . 50.0 110.796 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.25 -39.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.51 -0.922 . . . . 50.0 108.51 175.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -39.07 93.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.018 -0.426 . . . . 50.0 110.501 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttt -69.06 -17.08 63.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.615 0.766 . . . . 50.0 111.595 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 C--N 1.322 -0.601 0 O-C-N 121.878 -0.514 . . . . 25.0 111.698 179.178 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 119.625 -0.226 . . . . 25.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -69.25 -40.22 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.564 -0.71 . . . . 50.0 109.324 174.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -67.21 -42.6 83.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.318 -0.623 . . . . 50.0 109.318 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.98 74.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.157 -0.474 . . . . 25.0 111.321 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -62.53 -45.36 93.31 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 122.278 -0.264 . . . . 50.0 110.621 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -71.05 -15.67 62.55 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.422 0.629 . . . . 50.0 112.618 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -32.83 71.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 174.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.54 -44.47 9.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 50.0 111.52 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -78.81 93.32 4.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.772 0.796 . . . . 50.0 109.938 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -78.74 -24.21 44.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.547 -0.751 . . . . 75.0 110.901 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.73 -37.18 67.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.922 -0.581 . . . . 75.0 110.052 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.7 19.82 65.03 Favored Glycine 0 C--O 1.223 -0.545 0 CA-C-N 115.806 -0.634 . . . . 25.0 112.434 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.97 -13.58 38.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.62 0.97 . . . . 50.0 113.62 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.4 6.35 41.68 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.917 0.727 . . . . 50.0 114.917 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -133.97 155.8 49.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.436 0.618 . . . . 25.0 110.527 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mt -119.71 129.38 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 107.431 -1.322 . . . . 50.0 107.431 176.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -114.32 173.77 6.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -55.95 -36.75 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.093 0.406 . . . . 25.0 111.99 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -59.76 -40.59 88.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 50.0 111.028 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.17 -43.31 24.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.742 -0.663 . . . . 50.0 111.982 -177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -44.88 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.021 -1.103 . . . . 50.0 108.021 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -34.63 90.44 Favored Glycine 0 C--O 1.216 -0.988 0 CA-C-N 115.688 -0.687 . . . . 50.0 113.031 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -61.22 -44.16 97.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.386 1.093 . . . . 25.0 109.441 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.81 -41.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.769 -0.372 . . . . 50.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmt -64.97 -36.49 84.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.683 -0.636 . . . . 50.0 111.856 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -73.48 -23.88 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.632 -0.667 . . . . 50.0 110.858 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -20.63 61.44 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.068 0.461 . . . . 50.0 109.778 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.92 7.49 39.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 50.0 110.123 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 4.2 88.06 Favored Glycine 0 C--O 1.23 -0.113 0 N-CA-C 114.561 0.584 . . . . 50.0 114.561 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -82.04 161.59 22.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -133.5 64.07 67.17 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.941 -0.475 . . . . 50.0 111.824 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.21 169.02 23.42 Favored 'Trans proline' 0 C--N 1.351 0.676 0 O-C-N 121.867 0.404 . . . . 50.0 112.79 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' A' ' 47' ' ' GLU . 33.1 p -95.22 160.5 14.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.29 -24.46 62.15 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.476 -0.765 . . . . 25.0 111.224 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.82 -39.02 64.37 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 121.234 0.54 . . . . 25.0 109.995 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' H ' ' HG1' ' A' ' 44' ' ' THR . 65.4 tt0 -62.63 -44.04 97.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.16 -0.927 . . . . 50.0 109.144 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.72 -33.37 75.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.992 -0.549 . . . . 50.0 110.318 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -69.84 -40.53 75.76 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.925 0.713 . . . . 50.0 112.925 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -70.1 -31.46 69.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.88 1.218 . . . . 50.0 110.552 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.6 mtt -66.7 -28.08 68.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.102 -0.239 . . . . 50.0 111.276 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.48 -43.13 26.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.2 -32.97 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.4 0.28 . . . . 50.0 111.235 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.31 -25.38 61.83 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.364 0.876 . . . . 50.0 113.364 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.28 -9.88 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.445 0.535 . . . . 50.0 112.445 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -86.31 56.67 4.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.861 0.839 . . . . 50.0 110.853 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -20.53 63.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -89.09 -8.07 54.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.379 0.511 . . . . 50.0 112.379 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.14 16.41 70.87 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 116.15 1.22 . . . . 50.0 116.15 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.97 -1.84 55.42 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.074 1.437 . . . . 50.0 114.139 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.24 -3.17 85.56 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 116.776 1.471 . . . . 50.0 116.776 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -136.7 160.45 38.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.088 0.944 . . . . 25.0 111.015 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.0 mt -88.45 115.39 28.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.041 -1.837 . . . . 50.0 106.041 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -92.04 172.47 8.42 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 107.053 -1.462 . . . . 50.0 107.053 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -54.14 -45.9 98.96 Favored Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 117.296 2.332 . . . . 50.0 117.296 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.32 -22.96 24.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 113.335 -3.976 . . . . 50.0 113.484 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.61 -31.53 57.49 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.248 -1.019 . . . . 50.0 108.248 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.51 -37.3 84.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.88 -39.71 92.86 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.501 -0.555 . . . . 50.0 109.501 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -69.31 -39.5 78.23 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.135 0.493 . . . . 25.0 111.047 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.5 ttp . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 50.0 109.487 177.602 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.9 mt . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -56.31 -44.65 80.12 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.388 0.675 . . . . 50.0 109.613 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -47.15 79.16 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.024 -0.271 . . . . 50.0 110.773 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.57 83.24 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.186 0.517 . . . . 25.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.51 -42.44 82.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.846 -0.427 . . . . 50.0 109.846 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -66.51 -15.83 63.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.732 1.012 . . . . 50.0 113.732 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -60.6 -39.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.456 -1.313 . . . . 50.0 107.456 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -103.29 -35.63 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -81.91 69.45 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.699 -0.852 . . . . 50.0 108.699 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -64.95 -30.24 71.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.051 1.13 . . . . 50.0 114.051 -170.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -91.56 -2.39 57.16 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.92 12.54 68.19 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 116.463 1.345 . . . . 25.0 116.463 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.94 2.03 15.94 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.323 1.601 . . . . 50.0 115.323 -174.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.09 -0.92 73.06 Favored Glycine 0 CA--C 1.516 0.129 0 N-CA-C 115.422 0.929 . . . . 50.0 115.422 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -133.68 139.2 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.074 -0.343 . . . . 50.0 110.074 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -97.54 114.9 35.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.249 -1.76 . . . . 50.0 106.249 172.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.6 p -88.85 162.16 16.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.745 -0.835 . . . . 50.0 108.745 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.85 76.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.92 0.39 . . . . 25.0 110.787 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.13 95.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 25.0 110.682 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.43 -42.05 79.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 50.0 111.0 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.75 -48.57 80.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.332 -0.618 . . . . 50.0 109.332 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -61.44 -34.82 76.04 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.151 0.426 . . . . 50.0 112.151 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -59.73 -49.33 78.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.236 0.541 . . . . 50.0 110.214 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.34 -42.62 96.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.031 -0.531 . . . . 50.0 110.342 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.2 mtp -64.45 -37.31 87.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.822 0.675 . . . . 50.0 112.822 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 m -62.17 -37.39 85.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.997 0.427 . . . . 25.0 110.041 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -72.3 -23.83 61.24 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.829 -0.544 . . . . 25.0 110.752 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.16 -13.43 59.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 75.0 110.036 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.11 51.55 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-N 116.181 -0.463 . . . . 50.0 113.184 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.75 151.26 43.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.113 0.483 . . . . 50.0 111.303 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.81 53.32 2.01 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.087 0.47 . . . . 50.0 111.849 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.14 159.41 34.72 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.693 -0.685 . . . . 50.0 111.282 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.1 p -85.31 171.02 12.22 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.06 -37.07 81.35 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -73.23 -35.2 66.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.823 -0.626 . . . . 75.0 112.152 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -66.82 -36.96 83.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.11 -35.57 53.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.498 -0.556 . . . . 50.0 109.498 176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.25 -41.32 98.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.926 -0.398 . . . . 50.0 109.926 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.75 -33.02 74.73 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.562 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.6 mtp -68.58 -23.73 64.52 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.262 0.467 . . . . 75.0 112.262 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.8 mm -82.07 -40.16 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.085 -0.709 . . . . 50.0 109.085 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -58.52 -32.46 68.87 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.179 1.177 . . . . 50.0 114.179 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -69.01 -10.89 59.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.901 0.334 . . . . 50.0 111.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -121.3 -25.3 5.26 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.61 83.42 4.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.068 1.136 . . . . 50.0 114.068 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.7 mt -68.14 -43.95 84.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.213 -0.903 . . . . 50.0 110.672 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -81.9 -13.31 57.74 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.083 1.142 . . . . 50.0 114.083 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.95 16.88 78.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 116.789 1.476 . . . . 50.0 116.789 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -83.44 -0.13 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.372 1.249 . . . . 50.0 114.372 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 9.87 79.04 Favored Glycine 0 C--O 1.239 0.415 0 C-N-CA 121.412 -0.423 . . . . 50.0 113.496 177.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -137.39 166.83 22.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.217 -0.66 . . . . 50.0 109.217 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -105.39 116.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.005 -1.109 . . . . 50.0 108.005 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -81.3 170.57 15.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.646 -1.612 . . . . 50.0 106.646 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -59.96 -48.19 82.73 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -66.15 -36.01 81.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.454 0.645 . . . . 50.0 111.885 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.76 -36.32 83.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.807 -0.633 . . . . 50.0 110.311 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.41 -37.86 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.255 -0.278 . . . . 50.0 110.285 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.64 -42.17 94.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.378 -0.971 . . . . 50.0 108.378 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.28 -44.02 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.961 -0.462 . . . . 50.0 111.925 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.7 ptm -65.98 -18.82 65.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.105 0.479 . . . . 50.0 111.727 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.0 ttm . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.686 178.384 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 C--O 1.224 -0.279 0 N-CA-C 110.526 -0.176 . . . . 25.0 110.526 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -71.32 -38.08 71.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.197 -0.314 . . . . 50.0 110.445 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.52 -41.1 80.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.462 -0.57 . . . . 50.0 109.462 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.5 81.31 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.985 0.421 . . . . 25.0 110.689 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.26 -43.21 92.01 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.485 -0.561 . . . . 50.0 109.485 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -67.82 -15.31 63.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.651 0.262 . . . . 50.0 111.648 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -85.95 -26.49 25.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.659 0.742 . . . . 50.0 109.65 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -83.45 -40.24 19.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.861 -0.792 . . . . 50.0 108.861 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -72.32 111.57 7.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.568 -1.271 . . . . 50.0 107.568 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -82.15 -17.36 46.61 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.693 0.627 . . . . 75.0 112.693 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.17 -24.87 17.35 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.186 -0.916 . . . . 75.0 110.34 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.11 81.94 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.934 -0.575 . . . . 25.0 114.35 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.77 -22.11 34.39 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.882 1.438 . . . . 50.0 114.882 -174.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.18 -1.44 14.55 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.64 0.616 . . . . 50.0 114.64 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.4 p -133.25 151.44 51.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 117.479 0.64 . . . . 25.0 111.976 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -110.89 127.63 67.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.166 -1.79 . . . . 50.0 106.166 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.594 ' HG1' ' H ' ' A' ' 29' ' ' THR . 10.4 t -112.02 172.17 7.06 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 110.14 -0.319 . . . . 25.0 110.14 -178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.594 ' H ' ' HG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -54.14 -40.24 67.22 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -62.54 -38.74 91.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.134 0.492 . . . . 50.0 111.801 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.17 -44.22 60.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.044 0.45 . . . . 50.0 110.677 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.91 -41.06 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.866 -0.79 . . . . 50.0 108.866 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.69 -33.96 88.64 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-N 115.66 -0.7 . . . . 50.0 113.663 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -63.0 -45.29 93.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -67.36 -45.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.737 0.303 . . . . 50.0 110.435 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mmm -60.47 -44.68 95.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.019 0.438 . . . . 50.0 112.023 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -70.29 -31.67 69.11 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.534 -0.729 . . . . 50.0 111.043 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -63.98 -34.78 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.787 -0.449 . . . . 50.0 109.787 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.09 8.01 11.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.963 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.12 10.98 84.28 Favored Glycine 0 C--O 1.225 -0.433 0 N-CA-C 114.874 0.71 . . . . 50.0 114.874 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -77.62 -3.2 39.69 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 117.764 0.782 . . . . 50.0 111.742 -176.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 31.72 51.72 0.63 Allowed Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 118.186 2.661 . . . . 50.0 118.186 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -82.0 164.84 17.56 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 115.817 -2.322 . . . . 50.0 114.574 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.6 p -96.07 165.46 12.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 171.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -69.66 -18.99 63.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.97 -40.67 60.6 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 110.474 -0.195 . . . . 25.0 110.474 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.21 -40.53 94.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.344 1.069 . . . . 50.0 109.029 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.68 -28.05 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.289 -0.868 . . . . 50.0 110.607 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -72.53 -47.24 49.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 119.296 -0.383 . . . . 50.0 111.489 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 -31.98 70.14 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 119.586 -0.846 . . . . 50.0 111.829 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.98 -27.07 67.14 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.101 -0.375 . . . . 50.0 111.642 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -79.85 -42.19 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.106 -0.702 . . . . 50.0 109.106 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.99 -31.48 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 117.848 0.295 . . . . 50.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.04 -17.05 56.13 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.592 0.96 . . . . 50.0 113.592 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 t -118.56 -25.26 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 120.896 0.379 . . . . 50.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.14 53.94 1.02 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.437 1.273 . . . . 50.0 114.437 -175.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -14.01 62.17 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.063 0.458 . . . . 25.0 112.172 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -85.78 -16.34 39.14 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 123.601 0.76 . . . . 50.0 111.822 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.13 88.78 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 117.86 1.904 . . . . 50.0 117.86 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -1.12 35.08 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.495 1.647 . . . . 50.0 114.909 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.1 -0.49 87.35 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 117.228 1.651 . . . . 50.0 117.228 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.7 p -138.79 168.35 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.791 0.795 . . . . 25.0 111.182 -176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -103.14 103.23 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.304 -1.369 . . . . 50.0 107.304 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.16 171.03 14.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.266 -1.013 . . . . 50.0 108.266 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -53.5 -49.64 87.46 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 114.779 1.4 . . . . 50.0 114.779 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.74 -24.94 54.13 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 114.385 -3.277 . . . . 50.0 114.428 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -78.72 -27.0 44.81 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.817 -0.552 . . . . 50.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.94 -38.03 82.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.656 -1.239 . . . . 50.0 107.656 174.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.37 -40.9 94.14 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.919 -0.582 . . . . 50.0 109.921 174.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -65.02 -36.97 86.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.012 0.434 . . . . 25.0 110.884 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.9 ttp . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 109.177 -0.675 . . . . 50.0 109.177 177.016 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.235 0.299 0 N-CA-C 107.797 -1.186 . . . . 50.0 107.797 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -66.83 -40.6 88.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 50.0 111.67 177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -39.49 85.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.955 -0.387 . . . . 50.0 109.955 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.51 91.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.52 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -69.26 -15.06 63.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.498 0.925 . . . . 50.0 113.498 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.62 -42.46 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 107.654 -1.239 . . . . 50.0 107.654 172.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -78.43 -47.17 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.147 0.499 . . . . 25.0 109.958 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -84.39 65.42 8.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.014 0.912 . . . . 50.0 109.253 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -66.75 -20.19 65.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.573 0.953 . . . . 50.0 113.573 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -91.44 -4.09 55.97 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.33 23.11 76.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 117.874 1.909 . . . . 25.0 117.874 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.0 -25.95 65.66 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.183 1.491 . . . . 50.0 113.482 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.46 3.61 69.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.477 -1.449 . . . . 50.0 109.477 -167.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -142.74 134.49 26.77 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.478 0.711 . . . . 50.0 111.193 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.83 133.38 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.153 -1.055 . . . . 50.0 108.153 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.5 p -109.74 168.58 9.31 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.238 -0.282 . . . . 50.0 110.238 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.69 79.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.945 0.402 . . . . 25.0 111.532 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.02 71.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.262 0.553 . . . . 25.0 111.504 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -83.46 -42.76 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.083 -0.508 . . . . 50.0 110.619 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.19 -44.06 97.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.191 -0.3 . . . . 50.0 110.191 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.03 66.33 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.73 -0.606 . . . . 50.0 111.59 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -68.07 -42.85 79.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.463 -0.94 . . . . 50.0 108.463 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.05 -45.4 94.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 N-CA-C 108.999 -0.741 . . . . 50.0 108.999 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.2 mtt -62.47 -35.04 78.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.202 0.815 . . . . 50.0 113.202 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.7 m -59.01 -41.23 87.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.66 -25.56 60.33 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.803 0.297 . . . . 25.0 111.803 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -74.32 -19.95 60.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.432 -0.581 . . . . 75.0 109.432 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.47 14.03 24.82 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.124 -0.489 . . . . 50.0 114.07 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.59 163.07 28.15 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.908 0.707 . . . . 50.0 112.908 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.86 37.75 3.24 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 122.132 0.968 . . . . 50.0 109.89 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.71 163.22 24.68 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.217 -1.356 . . . . 50.0 108.298 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.431 ' HG1' ' HB2' ' A' ' 119' ' ' GLU . 81.5 p -92.78 163.17 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -32.85 70.26 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HB2' ' HG1' ' A' ' 117' ' ' THR . 24.4 mt-10 -69.24 -40.63 77.79 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.501 0.72 . . . . 75.0 112.278 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.62 -38.96 90.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.722 0.773 . . . . 50.0 109.402 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.39 -35.31 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.687 -0.688 . . . . 50.0 110.165 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.41 -39.1 93.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.347 0.594 . . . . 50.0 110.303 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.08 -28.88 65.78 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.507 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.0 mtt -72.64 -23.66 60.94 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.706 -0.621 . . . . 75.0 111.656 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.96 -41.64 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.098 -1.445 . . . . 50.0 107.098 171.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -65.84 -31.3 72.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.104 1.52 . . . . 50.0 115.104 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -70.54 -17.87 62.93 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.807 -0.757 . . . . 50.0 111.344 177.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.75 -1.63 29.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.153 0.502 . . . . 25.0 110.502 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -86.93 80.97 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.811 0.815 . . . . 50.0 112.109 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.55 -42.87 90.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.447 -0.797 . . . . 50.0 111.728 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -88.81 -4.97 58.36 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.433 1.272 . . . . 50.0 114.433 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.66 18.77 76.99 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 116.461 1.344 . . . . 50.0 116.461 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -85.91 -2.11 57.95 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.137 1.162 . . . . 50.0 114.137 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.34 8.9 85.7 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 114.529 0.572 . . . . 50.0 114.529 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -136.63 169.86 17.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.285 0.543 . . . . 50.0 109.658 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.1 t -101.33 117.13 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 107.686 -1.227 . . . . 50.0 107.686 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.08 168.05 20.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.571 -1.641 . . . . 50.0 106.571 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.24 -46.2 86.37 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 112.837 0.681 . . . . 50.0 112.837 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.56 -37.64 87.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.484 -0.76 . . . . 50.0 111.509 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.27 -37.88 88.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.593 -0.521 . . . . 50.0 109.593 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.68 -41.17 92.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 50.0 110.986 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.97 -41.27 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.22 -48.03 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.029 -0.42 . . . . 50.0 111.69 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.2 ptm -67.87 -21.13 65.18 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.742 -0.599 . . . . 50.0 111.747 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.3 tpp . . . . . 0 C--O 1.239 0.503 0 O-C-N 122.094 -0.379 . . . . 25.0 111.27 176.655 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 . . . . . 0 C--O 1.223 -0.312 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -69.17 -40.54 78.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -73.49 -35.9 65.72 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.96 -0.696 . . . . 50.0 109.482 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.05 73.45 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.734 0.302 . . . . 25.0 110.719 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -68.41 -44.17 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -65.98 -22.48 66.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.992 0.425 . . . . 50.0 111.565 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.9 tp -62.72 -36.31 82.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 50.0 109.486 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -89.93 -39.14 13.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.303 -0.862 . . . . 50.0 112.094 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -79.68 80.83 6.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.899 0.856 . . . . 50.0 110.392 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.67 -21.54 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.482 1.289 . . . . 75.0 114.482 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -112.34 0.54 15.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.773 0.657 . . . . 75.0 112.773 -175.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 18.26 75.95 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -80.1 -1.15 38.85 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.091 0.946 . . . . 50.0 113.182 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.09 -0.26 75.43 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.906 0.722 . . . . 50.0 114.906 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -134.86 155.46 50.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 117.148 0.474 . . . . 25.0 111.385 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -108.95 118.26 56.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.726 -1.213 . . . . 50.0 107.726 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.0 p -91.97 168.75 11.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.654 -0.703 . . . . 25.0 109.407 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.2 p -61.98 -31.83 72.23 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.45 -47.89 80.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.424 0.631 . . . . 50.0 109.708 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.2 -40.18 68.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.767 -0.652 . . . . 50.0 112.465 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.32 -43.29 99.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.806 -0.813 . . . . 50.0 108.806 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -34.26 88.78 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 115.841 -0.618 . . . . 50.0 112.764 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -44.95 94.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.399 0.6 . . . . 25.0 109.769 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.62 -42.21 86.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.991 -0.283 . . . . 50.0 110.348 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.6 mtt -62.91 -39.22 93.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.817 -0.552 . . . . 50.0 112.43 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.85 -21.64 60.03 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.683 -0.636 . . . . 50.0 111.37 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -73.38 -26.27 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.036 0.446 . . . . 50.0 109.876 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -90.98 0.8 57.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 50.0 110.716 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.34 0.09 67.93 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 116.624 1.41 . . . . 50.0 116.624 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -79.14 151.74 31.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 118.793 1.297 . . . . 50.0 109.275 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -115.6 60.54 1.6 Allowed Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.016 0.527 . . . . 50.0 112.004 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.66 153.98 49.19 Favored 'Trans proline' 0 C--O 1.25 1.111 0 C-N-CA 115.623 -2.452 . . . . 50.0 114.806 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -82.03 165.69 20.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.782 -1.099 . . . . 25.0 109.022 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -65.68 -32.01 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.957 -0.465 . . . . 25.0 111.202 177.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.52 80.24 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.819 0.342 . . . . 25.0 110.386 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.19 -46.0 89.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.827 0.822 . . . . 50.0 109.598 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.61 -30.0 67.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.323 -0.853 . . . . 50.0 110.755 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.72 -48.51 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.11 -38.33 82.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.746 0.307 . . . . 50.0 111.461 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.86 -29.52 70.7 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.906 0.336 . . . . 50.0 111.906 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.75 -44.42 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.779 -0.452 . . . . 50.0 109.779 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -58.4 -32.53 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 122.628 0.371 . . . . 50.0 110.974 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.38 -17.66 32.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.062 1.504 . . . . 50.0 115.062 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -13.58 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.897 1.073 . . . . 50.0 113.897 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -82.99 59.85 5.13 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.496 0.665 . . . . 50.0 112.491 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.86 67.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.255 0.55 . . . . 25.0 111.832 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -81.18 -18.73 45.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.609 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.48 82.24 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 117.945 1.938 . . . . 50.0 117.945 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -80.34 3.07 22.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.418 1.609 . . . . 50.0 114.545 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.9 3.58 87.8 Favored Glycine 0 C--O 1.239 0.457 0 N-CA-C 115.271 0.868 . . . . 50.0 115.271 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -139.47 164.71 29.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.33 0.565 . . . . 25.0 111.518 -177.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.19 114.01 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 105.987 -1.857 . . . . 50.0 105.987 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.24 174.0 8.09 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.356 -0.979 . . . . 50.0 108.356 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -55.08 -46.63 99.63 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 116.469 2.026 . . . . 50.0 116.469 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.53 -22.22 24.87 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.404 -3.931 . . . . 50.0 113.635 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.83 -31.85 57.18 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.77 -37.47 82.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -61.6 -41.81 97.98 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.8 m -66.78 -38.53 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.614 0.721 . . . . 25.0 111.495 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.9 tmm? . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 123.383 0.673 . . . . 50.0 109.787 178.835 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 108.461 -0.94 . . . . 50.0 108.461 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -66.69 -42.81 85.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.036 -0.415 . . . . 50.0 111.09 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.01 -47.34 86.9 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.875 -0.417 . . . . 50.0 109.875 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.63 82.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.392 . . . . 25.0 111.7 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.89 -40.81 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.013 0.435 . . . . 50.0 109.907 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -70.85 -19.17 62.67 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.73 1.011 . . . . 50.0 113.73 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.15 -37.82 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.293 -1.002 . . . . 50.0 108.293 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -86.17 -45.22 11.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.196 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -84.48 71.96 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.706 0.765 . . . . 50.0 110.635 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -71.54 -15.82 62.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.565 -0.743 . . . . 50.0 111.698 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -72.19 -26.18 61.96 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.98 20.34 77.75 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.76 2.62 56.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.196 1.184 . . . . 50.0 114.196 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.87 3.81 70.19 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 114.786 0.674 . . . . 50.0 114.786 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -139.42 140.96 37.5 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.855 0.328 . . . . 50.0 110.51 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt -99.79 122.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 105.882 -1.896 . . . . 50.0 105.882 172.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.568 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 79.7 p -89.29 164.74 14.8 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.846 0.355 . . . . 50.0 110.084 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.17 76.17 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.38 96.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.202 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.568 ' H ' ' HG ' ' A' ' 101' ' ' SER . 15.4 mt-10 -69.17 -39.8 78.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.452 -0.155 . . . . 50.0 110.736 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.38 -45.1 89.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.415 0.626 . . . . 50.0 109.369 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -59.6 -40.3 87.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.591 -0.731 . . . . 50.0 110.707 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.71 -48.42 79.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 50.0 111.382 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.48 -45.42 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.998 -0.371 . . . . 50.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mtm -64.02 -37.81 88.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.535 0.569 . . . . 50.0 112.535 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 55.9 m -59.84 -38.75 82.95 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.196 -0.315 . . . . 25.0 110.242 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.65 -25.8 61.41 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 122.107 -0.371 . . . . 25.0 111.452 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.2 mt -76.82 -14.66 59.89 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.621 -0.511 . . . . 75.0 109.621 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.46 -8.76 57.02 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 111.887 -0.485 . . . . 50.0 111.887 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.02 148.53 45.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.356 0.598 . . . . 50.0 110.861 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -136.02 56.4 1.82 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.898 -0.592 . . . . 50.0 112.103 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.35 159.94 33.66 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.6 -1.629 . . . . 50.0 106.6 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.8 p -83.5 167.14 17.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.72 -33.73 74.55 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 121.757 0.789 . . . . 50.0 110.504 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.83 -43.5 83.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.165 -0.925 . . . . 75.0 110.923 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -36.17 83.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.475 -0.784 . . . . 50.0 109.251 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.16 -41.19 86.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 N-CA-C 108.614 -0.884 . . . . 50.0 108.614 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.64 -41.89 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.922 0.391 . . . . 50.0 110.801 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.74 -43.46 85.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.289 0.566 . . . . 25.0 110.687 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.7 ttm -64.07 -40.03 95.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.262 0.838 . . . . 75.0 113.262 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.28 -41.32 78.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.496 -0.774 . . . . 50.0 109.171 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -62.1 -30.27 70.9 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.79 1.033 . . . . 50.0 113.79 -175.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.08 -17.21 62.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.143 0.497 . . . . 50.0 111.784 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.83 -20.04 14.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.729 0.3 . . . . 25.0 111.478 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -82.76 81.71 8.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.332 0.864 . . . . 50.0 113.332 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -64.23 -44.48 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.761 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -85.69 -8.27 58.3 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.408 1.262 . . . . 50.0 114.408 -174.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.58 17.54 80.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 116.204 1.242 . . . . 50.0 116.204 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -82.38 0.04 43.75 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.582 1.191 . . . . 50.0 113.706 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.43 5.12 85.3 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.66 -0.305 . . . . 50.0 113.731 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -135.67 166.63 22.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.365 -0.491 . . . . 50.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -101.63 115.18 42.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -77.62 170.42 16.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.889 -1.523 . . . . 50.0 106.889 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -59.83 -43.16 94.7 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.645 -0.659 . . . . 50.0 112.407 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.31 -36.37 79.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.863 0.84 . . . . 50.0 111.147 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.61 -33.67 74.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.388 -0.823 . . . . 50.0 110.358 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.42 -41.54 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.97 -39.86 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.96 -51.28 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.807 -0.558 . . . . 50.0 110.738 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.36 -17.97 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.816 -0.552 . . . . 50.0 112.081 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 121.81 -0.556 . . . . 25.0 109.535 176.805 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 . . . . . 0 C--O 1.224 -0.277 0 N-CA-C 111.426 0.158 . . . . 25.0 111.426 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.0 -41.15 71.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.189 -0.319 . . . . 50.0 110.547 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.56 -35.28 67.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.852 -0.739 . . . . 50.0 109.351 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.11 74.7 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.004 0.431 . . . . 25.0 110.138 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -67.77 -43.86 78.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.127 -0.358 . . . . 50.0 110.189 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -65.54 -21.32 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.01 -39.91 91.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -88.29 -37.92 15.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.511 -0.768 . . . . 50.0 112.545 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.96 85.94 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.015 0.912 . . . . 50.0 111.204 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -69.91 -24.26 63.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 75.0 112.057 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.09 -27.89 54.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 121.109 -0.236 . . . . 75.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.53 22.99 76.52 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.429 -0.415 . . . . 25.0 112.966 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -102.25 -0.59 32.73 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.233 1.197 . . . . 50.0 114.233 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.98 8.4 61.77 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.724 0.65 . . . . 50.0 114.724 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -130.29 155.8 45.71 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.395 0.597 . . . . 25.0 111.007 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.6 mt -119.27 120.2 63.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 105.134 -2.173 . . . . 50.0 105.134 169.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.503 ' HG1' ' N ' ' A' ' 29' ' ' THR . 8.8 t -109.28 171.03 7.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.503 ' N ' ' HG1' ' A' ' 28' ' ' THR . 6.7 t -55.61 -33.79 64.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -58.83 -45.52 89.81 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.733 0.778 . . . . 50.0 110.544 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.39 -38.82 59.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.491 -0.777 . . . . 50.0 111.332 -175.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.79 -44.87 96.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.1 91.61 Favored Glycine 0 C--O 1.223 -0.564 0 CA-C-N 115.374 -0.83 . . . . 50.0 112.394 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.2 m -64.34 -43.2 95.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.019 -0.695 . . . . 25.0 110.509 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.59 -40.5 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 50.0 110.058 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.7 -40.27 94.43 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.937 -0.477 . . . . 50.0 110.967 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.61 -18.19 61.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.391 -0.818 . . . . 50.0 112.274 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -72.46 -26.91 62.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.703 -0.851 . . . . 50.0 108.703 171.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -92.0 5.28 50.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.895 0.878 . . . . 50.0 110.051 176.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.11 -7.06 68.39 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 114.971 0.748 . . . . 50.0 114.971 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -79.53 128.52 33.48 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.657 -0.868 . . . . 50.0 108.657 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.25 68.19 79.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 50.0 111.387 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.83 172.46 15.3 Favored 'Trans proline' 0 C--O 1.242 0.719 0 O-C-N 121.836 0.387 . . . . 50.0 112.256 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -77.23 166.34 23.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.479 0.657 . . . . 25.0 110.001 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -65.97 -27.51 68.2 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.06 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.443 -0.16 . . . . 25.0 110.618 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.65 -41.33 96.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.917 0.865 . . . . 50.0 108.958 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.14 -34.8 78.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.909 -0.495 . . . . 50.0 110.371 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -67.19 -45.72 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.179 0.437 . . . . 50.0 112.179 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.44 -31.2 69.38 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.313 -0.955 . . . . 50.0 111.398 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 81.2 mtp -69.95 -28.34 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 50.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.6 mm -73.39 -46.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.766 -1.198 . . . . 50.0 107.766 174.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.56 -29.01 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.923 0.489 . . . . 50.0 112.247 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -23.71 51.97 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 50.0 112.748 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.88 -34.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.084 0.468 . . . . 50.0 111.012 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -78.98 63.4 3.65 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.96 0.904 . . . . 50.0 113.429 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.69 67.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.565 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.13 -16.21 53.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.963 0.357 . . . . 50.0 111.963 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 11.5 85.47 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.055 1.982 . . . . 50.0 118.055 173.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -77.21 4.93 9.35 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.473 1.636 . . . . 50.0 114.988 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.15 3.65 88.78 Favored Glycine 0 C--O 1.245 0.803 0 N-CA-C 114.248 0.459 . . . . 50.0 114.248 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.5 p -140.66 166.34 25.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.532 0.682 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -112.65 102.95 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 104.469 -2.419 . . . . 50.0 104.469 175.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -77.18 176.55 8.63 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.37 -0.974 . . . . 50.0 108.37 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -54.55 -47.12 98.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 N-CA-C 115.248 1.573 . . . . 50.0 115.248 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -65.45 -26.85 54.86 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 114.29 -3.34 . . . . 50.0 113.86 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -75.96 -28.93 58.1 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.985 -0.447 . . . . 50.0 110.154 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.27 -37.06 84.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.242 -0.436 . . . . 50.0 109.896 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 m -64.5 -38.06 89.71 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 122.013 -0.43 . . . . 25.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.5 ttp . . . . . 0 C--N 1.324 -0.542 0 O-C-N 121.793 -0.567 . . . . 50.0 110.218 178.49 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--O 1.227 -0.125 0 N-CA-C 109.331 -0.618 . . . . 50.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -65.11 -40.43 94.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.685 0.254 . . . . 50.0 111.685 -178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.49 -46.19 84.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.874 0.369 . . . . 25.0 110.701 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.55 -40.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.58 -0.282 . . . . 50.0 110.514 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -63.78 -25.71 68.3 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.066 0.765 . . . . 50.0 113.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.59 -43.17 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 109.713 -0.477 . . . . 50.0 109.713 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -82.68 -38.69 23.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 25.0 110.91 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -88.1 54.98 3.26 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.134 0.969 . . . . 50.0 109.146 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -2.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 115.264 1.579 . . . . 50.0 115.264 -175.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 p30 -114.93 1.51 14.04 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.41 41.0 86.56 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -83.18 -27.13 30.26 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.545 1.173 . . . . 50.0 111.459 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.1 4.03 69.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.995 -1.642 . . . . 50.0 108.995 -167.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -142.05 137.51 31.11 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 123.797 0.839 . . . . 50.0 110.246 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -96.11 114.22 32.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 N-CA-C 106.728 -1.582 . . . . 50.0 106.728 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.8 p -84.11 164.46 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.705 -0.622 . . . . 50.0 110.407 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.35 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.202 0.525 . . . . 25.0 110.01 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.61 78.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.069 0.461 . . . . 25.0 111.506 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.04 -41.16 64.49 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.114 -0.366 . . . . 50.0 110.88 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.93 -42.46 97.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.933 -1.136 . . . . 50.0 107.933 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -58.07 -37.84 75.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 50.0 111.38 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.58 -46.88 77.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.062 -0.399 . . . . 50.0 110.924 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.64 -45.91 96.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.387 -0.598 . . . . 50.0 109.387 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mtt -59.52 -37.71 79.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.437 0.903 . . . . 50.0 113.437 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.8 m -62.25 -40.0 94.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -72.46 -26.45 61.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.774 0.321 . . . . 25.0 111.141 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.79 -14.03 59.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.03 0.443 . . . . 75.0 110.031 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.81 26.16 35.84 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.245 -0.434 . . . . 50.0 113.212 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 162.9 28.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.441 0.621 . . . . 50.0 111.821 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -131.17 35.57 3.9 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.627 0.727 . . . . 50.0 110.651 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.95 156.28 26.05 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.282 -1.326 . . . . 50.0 109.133 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.4 p -83.87 165.44 18.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 177.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.0 -34.07 77.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.421 -0.585 . . . . 50.0 109.421 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.86 -35.46 74.72 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.395 0.678 . . . . 75.0 111.498 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.09 -37.06 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.353 0.597 . . . . 50.0 110.266 177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.88 -39.17 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.995 -0.742 . . . . 50.0 108.995 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.65 -44.73 92.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.235 0.541 . . . . 50.0 111.591 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.45 -30.44 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.16 -0.616 . . . . 25.0 111.077 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mtp -67.94 -38.5 82.9 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.892 -0.505 . . . . 75.0 111.187 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.55 -39.65 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.4 -22.21 65.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.767 1.395 . . . . 50.0 114.767 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.83 -25.09 63.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 118.023 0.374 . . . . 50.0 111.351 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.99 -15.17 14.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.928 0.394 . . . . 25.0 111.409 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -85.37 78.94 9.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.778 0.799 . . . . 50.0 111.6 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.52 -42.34 94.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.079 -0.964 . . . . 50.0 111.036 -177.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -81.62 -13.79 57.52 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.081 1.141 . . . . 50.0 114.081 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.06 14.36 79.43 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 117.647 1.819 . . . . 50.0 117.647 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.61 -0.04 40.59 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.85 1.325 . . . . 50.0 114.548 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.08 8.3 79.01 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 122.121 -0.362 . . . . 50.0 113.216 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -137.35 167.18 22.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.407 0.623 . . . . 50.0 110.369 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.81 117.23 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 107.4 -1.333 . . . . 50.0 107.4 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.63 171.19 15.47 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.037 -1.468 . . . . 50.0 107.037 -177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -58.91 -46.18 88.52 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.3 -36.99 74.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.661 -0.65 . . . . 50.0 112.318 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.86 -34.54 77.58 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.049 -0.523 . . . . 50.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.229 -0.295 . . . . 50.0 110.788 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.2 -40.84 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.67 -0.863 . . . . 50.0 108.67 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -40.03 95.51 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.971 -0.456 . . . . 50.0 110.356 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 ttt -66.87 -25.81 66.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.413 0.625 . . . . 50.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.9 ttm . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 25.0 111.424 179.56 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 . . . . . 0 C--O 1.219 -0.546 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.35 -46.73 75.78 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.79 -0.569 . . . . 50.0 110.15 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.26 -35.72 73.97 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.102 -0.639 . . . . 50.0 109.423 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.06 69.51 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.246 -0.433 . . . . 25.0 111.026 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.88 -45.95 55.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.773 -0.579 . . . . 50.0 110.078 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -69.01 -15.11 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.366 0.603 . . . . 50.0 111.964 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.91 -39.8 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.06 -1.089 . . . . 50.0 108.06 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.85 -45.71 8.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.348 -0.842 . . . . 50.0 112.798 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.93 93.18 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.652 0.739 . . . . 50.0 111.5 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -81.2 -22.73 38.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.711 -0.677 . . . . 75.0 111.276 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -75.92 -27.61 57.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.784 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.86 23.77 71.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.176 -0.769 . . . . 25.0 111.176 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -96.22 -2.46 46.12 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.889 1.07 . . . . 50.0 113.889 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.81 6.51 72.45 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 114.921 0.728 . . . . 50.0 114.921 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.3 p -135.96 152.33 50.86 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.261 0.531 . . . . 25.0 111.897 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.35 122.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -104.51 168.27 9.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.45 67.41 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -37.99 87.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.908 -0.495 . . . . 50.0 111.348 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.78 -44.25 67.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.947 0.403 . . . . 50.0 110.725 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.43 -44.25 92.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.878 0.847 . . . . 50.0 108.815 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.57 -28.93 74.11 Favored Glycine 0 CA--C 1.509 -0.307 0 CA-C-N 115.237 -0.892 . . . . 50.0 114.665 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.2 m -66.14 -41.61 90.18 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.81 -40.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.048 -0.407 . . . . 50.0 110.288 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -57.59 -43.95 85.02 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.809 -0.356 . . . . 50.0 111.472 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.63 -17.97 57.22 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -72.73 -24.23 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.811 -0.811 . . . . 50.0 108.811 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mt -91.73 8.94 34.66 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 50.0 110.639 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 4.24 90.39 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 115.436 0.934 . . . . 50.0 115.436 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -85.87 158.02 20.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.898 -0.778 . . . . 50.0 108.898 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -129.54 60.52 51.91 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 113.61 0.966 . . . . 50.0 113.61 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.93 156.46 34.52 Favored 'Trans proline' 0 C--O 1.242 0.721 0 C-N-CA 117.773 -1.018 . . . . 50.0 113.305 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -82.09 162.77 22.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -73.2 -18.95 61.2 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 120.668 -1.27 . . . . 25.0 113.04 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.39 -37.58 56.96 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -66.25 -40.32 90.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.123 0.964 . . . . 50.0 108.714 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.19 -27.88 67.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.799 -0.637 . . . . 50.0 110.744 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -73.6 -36.47 65.52 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 119.088 -0.482 . . . . 50.0 111.645 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.26 -27.63 64.59 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.343 0.974 . . . . 50.0 110.723 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.84 -27.54 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 50.0 110.745 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -83.68 -43.53 18.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 109.515 -0.55 . . . . 50.0 109.515 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.07 -31.82 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 122.458 0.303 . . . . 50.0 110.754 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.12 -17.0 56.43 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.64 0.978 . . . . 50.0 113.64 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -23.36 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.529 0.566 . . . . 50.0 112.529 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -79.84 55.92 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.902 0.881 . . . . 50.0 112.782 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.6 -19.87 65.87 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.305 0.574 . . . . 25.0 110.857 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.12 -20.35 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.635 -0.711 . . . . 50.0 111.438 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.82 10.62 84.87 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 118.394 2.117 . . . . 50.0 118.394 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -79.89 0.68 30.16 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.048 1.924 . . . . 50.0 114.59 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.71 3.03 84.03 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 116.053 1.181 . . . . 50.0 116.053 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 p -140.17 165.38 27.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.76 0.78 . . . . 25.0 111.488 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -96.34 112.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 105.593 -2.003 . . . . 50.0 105.593 170.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.85 169.12 13.63 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -56.66 -47.22 99.39 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.701 1.741 . . . . 50.0 115.701 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -69.41 -21.27 35.36 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 114.096 -3.469 . . . . 50.0 113.643 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -77.59 -30.1 52.33 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.513 -0.551 . . . . 50.0 109.513 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.53 -40.91 89.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.283 -1.006 . . . . 50.0 108.283 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.17 -41.08 99.18 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.759 -0.655 . . . . 50.0 109.762 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -66.01 -38.24 87.94 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.901 0.382 . . . . 25.0 111.192 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.4 ttt . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 50.0 109.505 179.4 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 107.982 -1.118 . . . . 50.0 107.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 50.0 110.281 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.33 -46.31 80.75 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.209 -0.307 . . . . 50.0 110.688 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.56 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 25.0 110.648 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.5 -43.86 96.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.729 -0.471 . . . . 50.0 109.729 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -69.09 -15.18 63.38 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.487 1.291 . . . . 50.0 114.487 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.35 -39.65 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -92.09 -35.5 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -94.98 49.83 1.25 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.741 0.781 . . . . 50.0 110.862 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -12.94 61.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 50.0 111.581 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.91 -14.05 48.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 25.0 110.498 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.24 25.61 75.19 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 118.021 1.968 . . . . 25.0 118.021 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.28 -1.69 57.95 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.101 1.45 . . . . 50.0 113.926 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.47 4.22 68.34 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.912 0.725 . . . . 50.0 114.912 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.51 146.22 41.71 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.708 0.254 . . . . 50.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.85 115.05 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.18 -1.415 . . . . 50.0 107.18 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -92.77 161.95 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.879 -0.728 . . . . 50.0 109.309 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.69 -39.46 80.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.389 0.614 . . . . 25.0 110.095 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -30.06 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.09 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -81.03 -42.09 21.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.761 -0.2 . . . . 50.0 110.754 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.738 -0.21 . . . . 50.0 110.612 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -27.27 68.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.729 -0.388 . . . . 50.0 111.385 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -69.36 -42.96 74.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.249 -0.58 . . . . 50.0 110.066 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.92 -43.03 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.895 -0.78 . . . . 50.0 108.895 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 26.3 mtt -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.487 0.551 . . . . 50.0 112.487 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -63.19 -38.29 90.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.736 0.303 . . . . 25.0 110.271 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.4 -28.87 64.31 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.96 -0.462 . . . . 25.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.11 -24.06 47.64 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.841 0.456 . . . . 75.0 111.466 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.01 36.78 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.442 -0.408 . . . . 50.0 112.099 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.36 159.64 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.038 0.447 . . . . 50.0 110.289 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.62 64.34 0.9 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 50.0 112.023 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.1 mt -120.83 163.19 18.54 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 105.072 -2.195 . . . . 50.0 105.072 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.5 p -98.99 171.3 8.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.01 -32.89 73.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.62 -38.54 73.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.392 -0.367 . . . . 75.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.69 -38.99 93.18 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.894 0.854 . . . . 50.0 109.186 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.62 -42.02 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.6 -0.727 . . . . 50.0 109.824 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.49 -41.01 96.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.823 -0.171 . . . . 50.0 111.361 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.32 -44.07 92.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.976 0.417 . . . . 25.0 110.826 176.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttp -64.1 -40.91 97.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.236 0.541 . . . . 75.0 112.241 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.4 mm -67.13 -40.27 84.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.418 -1.265 . . . . 50.0 107.638 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -61.8 -31.07 71.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.579 0.955 . . . . 50.0 113.579 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -69.1 -25.33 64.36 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.279 -0.568 . . . . 50.0 111.992 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -97.58 -14.08 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 25.0 111.426 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -85.76 78.86 9.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.791 0.805 . . . . 50.0 111.869 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.17 -41.44 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.34 -0.846 . . . . 50.0 111.737 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -83.36 -11.14 57.97 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.495 1.294 . . . . 50.0 114.495 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.41 18.66 75.6 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 117.07 1.588 . . . . 50.0 117.07 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.97 0.0 54.35 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.562 1.319 . . . . 50.0 114.562 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.77 7.72 74.37 Favored Glycine 0 C--O 1.244 0.733 0 O-C-N 122.181 -0.325 . . . . 50.0 113.372 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -137.58 163.78 30.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.135 0.493 . . . . 50.0 110.657 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.93 116.99 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 106.881 -1.525 . . . . 50.0 106.881 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.25 162.3 28.06 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 104.764 -2.31 . . . . 50.0 104.764 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.0 -36.73 77.84 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.293 -0.88 . . . . 50.0 110.855 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.87 -45.78 90.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.273 0.559 . . . . 50.0 111.699 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.48 -34.92 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.912 -0.585 . . . . 50.0 110.83 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.46 -39.08 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.048 0.451 . . . . 50.0 110.706 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -74.44 -39.46 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.392 -0.596 . . . . 50.0 109.392 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -59.33 -47.14 86.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.017 -0.427 . . . . 50.0 111.495 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 ptm -70.56 -20.84 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 50.0 111.444 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -178.31 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -71.02 -35.19 71.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.91 -38.1 72.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.65 70.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.855 0.36 . . . . 25.0 110.967 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.83 -44.57 69.68 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -67.84 -17.84 64.63 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.146 0.425 . . . . 50.0 112.146 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.84 -23.7 67.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.328 0.585 . . . . 50.0 109.548 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -104.1 -44.43 4.99 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.754 -0.657 . . . . 50.0 110.322 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.9 82.08 8.49 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.053 0.941 . . . . 50.0 109.392 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.78 -30.34 71.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.772 1.397 . . . . 75.0 114.772 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -89.04 -10.1 48.77 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 120.29 -0.564 . . . . 75.0 112.189 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.59 15.83 79.18 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 176.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -77.62 -4.93 48.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 1.268 . . . . 50.0 113.861 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.96 -1.15 60.96 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 114.151 0.42 . . . . 50.0 114.151 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -136.17 132.86 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.175 0.512 . . . . 25.0 111.71 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.6 mt -85.53 113.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 104.359 -2.46 . . . . 50.0 104.359 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -90.43 167.63 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.8 t -62.13 -28.98 70.02 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.134 0.492 . . . . 25.0 109.947 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.33 -42.38 96.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.535 0.683 . . . . 50.0 110.325 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -75.66 -35.79 60.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 50.0 111.433 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.45 -43.92 96.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.7 -35.17 89.15 Favored Glycine 0 C--O 1.217 -0.948 0 CA-C-N 115.115 -0.948 . . . . 50.0 111.998 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -63.94 -42.77 97.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.745 -0.856 . . . . 25.0 110.182 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -69.74 -38.28 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 50.0 110.257 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 mmt -64.3 -35.47 80.97 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.807 -0.558 . . . . 50.0 111.763 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -75.28 -16.59 60.43 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 112.478 0.547 . . . . 50.0 112.478 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 t -70.77 -24.78 62.66 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.555 -0.906 . . . . 50.0 108.555 171.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.97 -14.06 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.482 -0.781 . . . . 50.0 109.619 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.78 -6.13 56.95 Favored Glycine 0 C--O 1.217 -0.928 0 CA-C-N 115.625 -0.716 . . . . 50.0 114.375 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -64.55 141.7 58.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.683 0.994 . . . . 50.0 113.683 -174.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -122.64 69.18 33.63 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 108.505 -0.924 . . . . 50.0 108.505 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -79.3 166.24 22.66 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 118.338 -0.641 . . . . 50.0 111.772 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 p -77.51 165.68 24.03 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.35 -24.46 62.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.788 -1.195 . . . . 25.0 111.579 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.66 65.76 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.82 -28.89 69.87 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.917 -1.038 . . . . 50.0 110.035 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 mt -79.68 -33.35 41.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.457 -0.777 . . . . 50.0 110.768 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.08 -39.29 79.15 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 112.713 0.634 . . . . 50.0 112.713 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.906 1.23 . . . . 50.0 110.865 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.3 mtt -67.08 -27.45 67.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.395 0.616 . . . . 50.0 110.674 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.4 mt -81.27 -45.24 20.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.99 -30.93 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.466 0.543 . . . . 50.0 112.466 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.57 -17.81 56.62 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.929 0.714 . . . . 50.0 112.929 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.99 -23.3 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 112.008 0.373 . . . . 50.0 112.008 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -80.34 67.78 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.967 0.889 . . . . 50.0 112.486 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.5 -25.26 67.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 25.0 113.197 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -87.81 -7.87 56.69 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.488 0.551 . . . . 50.0 112.488 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.87 16.61 76.45 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 117.424 1.73 . . . . 50.0 117.424 174.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -84.61 -0.16 52.3 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.773 1.397 . . . . 50.0 114.773 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.41 75.67 Favored Glycine 0 C--O 1.242 0.653 0 N-CA-C 115.792 1.077 . . . . 50.0 115.792 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -139.03 153.16 48.07 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.771 0.785 . . . . 25.0 111.411 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.8 mt -91.62 103.16 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 106.864 -1.532 . . . . 50.0 106.864 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.26 178.65 5.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -51.57 -44.35 89.46 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 117.349 2.352 . . . . 50.0 117.349 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -71.24 -25.03 22.54 Favored 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 113.023 -4.184 . . . . 50.0 113.586 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -82.2 -26.77 33.04 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.222 0.534 . . . . 50.0 109.693 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.19 -37.29 86.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 50.0 108.415 171.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.45 -41.0 96.78 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.867 -0.42 . . . . 50.0 109.867 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -63.9 -40.26 96.08 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.23 0.538 . . . . 25.0 110.828 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 C--N 1.324 -0.527 0 C-N-CA 122.713 0.405 . . . . 50.0 110.538 179.197 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.0 mt . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 108.339 -0.985 . . . . 50.0 108.339 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -59.53 -41.68 90.57 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.261 -0.427 . . . . 50.0 110.526 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.56 -38.75 81.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.984 -0.448 . . . . 50.0 111.507 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.95 82.31 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.305 0.574 . . . . 25.0 110.072 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.64 -36.33 82.3 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.986 -0.446 . . . . 50.0 110.96 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -64.49 -19.45 65.59 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.276 0.843 . . . . 50.0 113.276 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.14 -28.37 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.148 -0.686 . . . . 50.0 109.148 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.54 -45.84 3.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -81.32 78.03 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 50.0 111.273 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -103.36 -1.0 29.36 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.254 -0.885 . . . . 50.0 112.36 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.28 -7.01 36.57 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.46 26.42 74.55 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 116.706 1.442 . . . . 25.0 116.706 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.7 -1.42 55.2 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.731 1.266 . . . . 50.0 114.128 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.68 -2.98 77.83 Favored Glycine 0 CA--C 1.509 -0.326 0 N-CA-C 117.513 1.765 . . . . 50.0 117.513 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -139.78 165.34 27.54 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.303 -0.999 . . . . 50.0 108.303 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 mt -108.35 115.03 48.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.484 -1.673 . . . . 50.0 106.484 172.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -105.46 165.93 10.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.954 -0.466 . . . . 50.0 110.629 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.58 89.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.698 0.285 . . . . 25.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.82 69.93 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.008 -0.542 . . . . 25.0 112.006 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -86.25 -41.39 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.038 0.447 . . . . 50.0 110.164 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.7 tp -65.31 -37.65 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.15 -0.344 . . . . 50.0 110.435 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -23.27 65.39 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 121.592 -0.692 . . . . 50.0 111.367 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -69.4 -42.79 74.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.326 -0.99 . . . . 50.0 108.326 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.53 -45.59 93.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.463 -0.94 . . . . 50.0 108.463 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mtp -65.68 -38.37 89.09 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.927 0.714 . . . . 50.0 112.927 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.1 m -58.19 -41.52 84.12 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.038 0.447 . . . . 25.0 110.11 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.88 -26.62 60.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.747 -0.66 . . . . 25.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -33.14 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.381 -0.6 . . . . 75.0 109.381 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.51 -26.9 2.25 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 115.119 0.807 . . . . 50.0 115.119 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -94.49 146.37 24.14 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.576 0.954 . . . . 50.0 113.576 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -126.3 75.46 1.53 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.726 0.774 . . . . 50.0 110.681 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.53 164.68 23.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.521 -1.218 . . . . 50.0 109.019 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.0 p -77.18 163.91 26.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -39.63 84.93 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 108.584 -0.895 . . . . 50.0 108.584 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -66.3 -36.37 82.77 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.48 0.918 . . . . 75.0 113.48 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.82 -36.08 82.73 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.073 0.939 . . . . 50.0 109.424 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -83.27 -31.32 8.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.381 -0.827 . . . . 50.0 110.187 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -66.16 -37.63 86.11 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 109.26 -0.645 . . . . 50.0 109.26 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.38 -35.34 78.88 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.658 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -68.23 -36.58 79.73 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.928 -0.482 . . . . 75.0 111.541 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.8 mm -65.61 -40.37 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.381 -0.6 . . . . 50.0 109.381 177.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.3 -28.67 69.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.229 1.196 . . . . 50.0 114.229 -175.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -67.46 -17.05 64.55 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 111.627 0.232 . . . . 50.0 111.627 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.98 -2.06 12.94 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.904 0.383 . . . . 25.0 110.765 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.34 80.62 7.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.669 0.747 . . . . 50.0 111.106 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.86 -43.15 93.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.776 -0.647 . . . . 50.0 112.252 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -86.41 -9.84 55.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.389 1.255 . . . . 50.0 114.389 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.99 20.28 63.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 117.507 1.763 . . . . 50.0 117.507 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -1.37 57.03 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.742 1.271 . . . . 50.0 114.348 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 8.29 71.65 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 121.447 -0.406 . . . . 50.0 113.766 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -141.53 169.42 17.63 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.312 -0.522 . . . . 50.0 110.186 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.4 t -100.68 120.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -81.75 173.41 12.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.838 -1.171 . . . . 50.0 107.838 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.1 -42.75 93.75 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.805 -0.559 . . . . 50.0 110.45 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.85 -44.14 94.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.027 0.918 . . . . 50.0 111.487 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.08 -32.61 73.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.581 -0.736 . . . . 50.0 110.688 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.1 -38.09 89.6 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.998 -0.546 . . . . 50.0 109.766 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.41 -42.05 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.559 -0.713 . . . . 50.0 109.356 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.257 -0.277 . . . . 50.0 110.377 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 65.6 ttp -71.52 -40.2 70.26 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 120.842 0.354 . . . . 50.0 110.986 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -177.677 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 C--O 1.222 -0.366 0 N-CA-C 111.515 0.191 . . . . 25.0 111.515 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -69.38 -41.26 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.802 -0.814 . . . . 50.0 108.802 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -71.32 -36.12 71.47 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.011 -0.675 . . . . 50.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.84 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 25.0 110.046 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -65.38 -42.84 92.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.595 -0.52 . . . . 50.0 109.595 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -65.89 -20.72 66.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.538 . . . . 50.0 112.017 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.13 -40.56 94.6 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.8 -38.12 23.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.879 -0.6 . . . . 50.0 112.539 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.3 95.9 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.653 0.74 . . . . 50.0 110.754 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.98 -21.73 43.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.108 1.151 . . . . 75.0 114.108 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -105.12 -13.25 15.78 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.759 0.651 . . . . 75.0 112.759 -175.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.84 15.92 76.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 115.896 1.118 . . . . 25.0 115.896 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 p30 -80.22 -2.18 43.8 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.899 1.074 . . . . 50.0 113.899 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.74 10.36 70.02 Favored Glycine 0 C--O 1.239 0.433 0 C-N-CA 121.289 -0.482 . . . . 50.0 113.787 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -134.73 152.88 52.1 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.833 0.453 . . . . 25.0 111.934 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.78 118.48 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.633 -1.247 . . . . 50.0 107.633 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -87.75 164.74 15.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -58.24 -35.84 72.31 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.514 0.673 . . . . 25.0 109.585 174.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.04 -44.43 97.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 50.0 111.441 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -70.01 -41.66 74.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.75 0.309 . . . . 50.0 111.358 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.16 -45.21 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.779 0.8 . . . . 50.0 109.144 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -32.7 85.09 Favored Glycine 0 C--O 1.219 -0.789 0 CA-C-N 114.947 -1.024 . . . . 50.0 112.999 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.7 m -61.84 -43.5 98.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.693 0.746 . . . . 25.0 109.43 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.41 -43.96 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 50.0 110.498 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -62.97 -40.6 98.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.921 -0.487 . . . . 50.0 111.877 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -69.99 -26.24 63.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.67 -0.644 . . . . 50.0 111.236 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 t -71.73 -27.36 62.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 50.0 109.754 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.03 3.58 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.414 0.686 . . . . 50.0 110.418 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.98 89.08 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 114.825 0.69 . . . . 50.0 114.825 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -78.72 151.57 32.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.97 -1.122 . . . . 50.0 107.97 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -115.09 46.28 0.42 Allowed Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 118.886 2.921 . . . . 50.0 118.886 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.16 164.62 19.54 Favored 'Trans proline' 0 C--O 1.246 0.901 0 C-N-CA 116.7 -1.733 . . . . 50.0 113.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 t -100.22 162.14 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 173.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.77 -29.73 70.72 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.07 -31.71 70.66 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.19 -34.61 78.43 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 122.587 1.184 . . . . 50.0 108.62 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HB2' ' HG1' ' A' ' 29' ' ' THR . 63.3 mt -76.69 -28.35 55.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.148 -0.933 . . . . 50.0 110.28 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.4 -37.77 86.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 119.208 -0.425 . . . . 50.0 111.379 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.78 -29.01 65.1 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.282 0.946 . . . . 50.0 111.098 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.3 mtt -68.26 -29.9 68.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.123 0.487 . . . . 50.0 110.326 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.1 mt -77.06 -48.07 25.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.2 mt -54.89 -33.42 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.02 -20.07 55.95 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.037 1.125 . . . . 50.0 114.037 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.33 -7.02 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 112.401 0.519 . . . . 50.0 112.401 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.41 59.09 4.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.761 0.791 . . . . 50.0 111.962 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -17.32 63.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -87.52 -10.79 50.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.58 0.585 . . . . 50.0 112.58 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.88 14.54 75.81 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.218 0.847 . . . . 50.0 115.218 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.808 1.41 . . . . 50.0 114.808 -174.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.9 10.64 85.43 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 116.503 1.361 . . . . 50.0 116.503 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.8 p -139.94 153.22 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.778 0.789 . . . . 25.0 110.672 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.14 104.06 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 106.822 -1.547 . . . . 50.0 106.822 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.59 165.19 25.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.978 -1.49 . . . . 50.0 106.978 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.03 -45.02 99.8 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 114.164 1.172 . . . . 50.0 114.164 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.02 -24.23 67.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 114.307 -3.329 . . . . 50.0 114.707 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.64 -31.01 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.659 -0.651 . . . . 50.0 109.458 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -66.38 -39.28 88.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.481 -0.933 . . . . 50.0 108.481 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.01 -33.99 76.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.711 -0.677 . . . . 50.0 110.496 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 m -69.78 -34.76 74.18 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.067 -0.396 . . . . 25.0 110.67 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.887 -0.783 . . . . 50.0 108.887 175.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--O 1.197 -1.659 0 CA-C-O 123.681 1.705 . . . . 50.0 109.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -62.18 -40.54 96.36 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 120.656 -1.278 . . . . 50.0 111.637 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.12 -32.31 64.85 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.806 -1.184 . . . . 50.0 110.55 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.27 83.61 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.858 0.837 . . . . 25.0 108.78 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -69.41 -38.53 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.674 -0.694 . . . . 50.0 110.358 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.08 -16.67 62.26 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.892 1.071 . . . . 50.0 113.892 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.45 -37.43 69.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.38 -46.5 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -82.57 81.42 8.37 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.691 0.758 . . . . 50.0 109.14 177.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.3 -35.11 77.34 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.75 0.648 . . . . 50.0 112.75 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.77 -24.66 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.998 -0.281 . . . . 25.0 111.578 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.43 21.32 64.76 Favored Glycine 0 C--O 1.228 -0.277 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -75.87 0.88 16.64 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.39 1.095 . . . . 50.0 113.698 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.32 6.99 58.5 Favored Glycine 0 C--O 1.235 0.17 0 C-N-CA 121.512 -0.375 . . . . 50.0 112.831 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -141.56 136.36 31.02 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.871 0.367 . . . . 50.0 111.728 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.5 106.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 105.752 -1.944 . . . . 50.0 105.752 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.466 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 68.7 p -75.78 162.51 28.12 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.847 -0.741 . . . . 50.0 109.382 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.92 74.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.88 92.79 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.352 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.466 ' H ' ' HG ' ' A' ' 101' ' ' SER . 21.8 mt-10 -68.33 -41.77 80.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.262 -0.274 . . . . 50.0 110.528 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.53 -43.9 92.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.96 79.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 50.0 110.649 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.05 -45.98 89.67 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.206 -0.308 . . . . 50.0 111.02 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.26 -46.0 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 121.174 0.511 . . . . 50.0 109.744 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.5 mtt -63.81 -39.12 93.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.897 . . . . 50.0 113.423 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.1 m -61.13 -40.49 94.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.476 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -72.03 -24.49 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.82 0.343 . . . . 25.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -77.65 -14.43 59.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 75.0 110.489 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.25 20.8 56.47 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 121.262 -0.495 . . . . 50.0 111.934 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.23 158.66 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.352 0.596 . . . . 50.0 110.257 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -124.84 37.96 4.29 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.717 0.77 . . . . 50.0 111.198 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.07 155.26 17.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.942 -1.481 . . . . 50.0 107.877 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -87.11 165.44 15.76 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.28 -37.02 76.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 50.0 110.637 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -70.53 -33.48 71.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.528 -0.306 . . . . 75.0 111.49 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.78 -34.87 78.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 50.0 110.545 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.52 -40.3 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 108.804 -0.813 . . . . 50.0 108.804 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.91 -37.93 89.27 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.071 -0.513 . . . . 50.0 110.713 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.45 -37.52 78.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.985 0.421 . . . . 25.0 110.781 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.58 81.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.98 -0.45 . . . . 75.0 111.005 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.32 -42.15 87.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -57.1 -32.27 66.13 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.642 0.608 . . . . 50.0 112.642 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.12 -13.07 59.49 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.514 0.931 . . . . 50.0 113.514 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.34 -0.91 5.68 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.85 76.81 9.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.787 0.803 . . . . 50.0 111.564 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.9 -42.28 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.461 -0.79 . . . . 50.0 111.853 -175.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -88.64 -2.57 58.66 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.51 21.79 78.68 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 116.62 1.408 . . . . 50.0 116.62 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -87.53 2.73 49.91 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.029 1.492 . . . . 50.0 115.029 -176.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.49 10.63 81.56 Favored Glycine 0 C--O 1.243 0.697 0 CA-C-O 121.537 0.521 . . . . 50.0 113.307 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.15 166.91 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.72 -0.474 . . . . 50.0 109.72 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.92 116.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 106.073 -1.825 . . . . 50.0 106.073 172.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -74.71 168.07 20.56 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.557 -1.645 . . . . 50.0 106.557 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.14 -45.14 87.9 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.867 -0.521 . . . . 50.0 112.043 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -41.17 87.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 50.0 111.819 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.32 -34.92 77.55 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.503 -0.771 . . . . 50.0 110.298 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -65.54 -38.76 90.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.217 -0.302 . . . . 50.0 111.585 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.46 -38.67 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -66.25 -42.63 88.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.9 -0.5 . . . . 50.0 110.184 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 ttt -61.08 -31.33 71.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.682 0.393 . . . . 50.0 111.558 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.4 ttm . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 179.044 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -90.3 -177.58 5.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -76.83 153.55 34.75 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.084 -1.08 . . . . 50.0 108.084 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.29 141.88 55.49 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.306 -0.406 . . . . 50.0 110.361 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.4 p -70.21 160.09 32.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -61.42 -29.75 70.13 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.728 -0.841 . . . . 50.0 108.728 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.25 -44.25 76.05 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.388 -0.823 . . . . 50.0 111.445 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.44 -39.19 93.36 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 122.427 1.108 . . . . 75.0 110.7 177.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.51 -37.93 80.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 108.335 -0.987 . . . . 50.0 108.335 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.83 83.38 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 122.014 -0.429 . . . . 25.0 111.197 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -58.58 -49.1 78.67 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.881 0.848 . . . . 50.0 110.81 176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.43 -21.07 64.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.265 -0.897 . . . . 25.0 111.728 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -75.14 -38.73 60.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.157 -0.312 . . . . 50.0 110.157 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.29 -38.56 68.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.321 -0.622 . . . . 50.0 109.321 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.48 -30.09 70.39 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.278 -0.264 . . . . 25.0 110.354 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -67.11 -45.71 76.36 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 122.001 -0.437 . . . . 50.0 109.969 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.7 m -67.77 -25.71 65.75 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.894 0.378 . . . . 50.0 111.829 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.61 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.208 -0.933 . . . . 50.0 109.749 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -38.95 18.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 50.0 110.98 177.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -87.05 93.87 9.48 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.533 0.683 . . . . 50.0 111.082 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -71.71 -17.66 62.21 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.182 0.808 . . . . 75.0 113.182 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -86.88 -28.17 22.98 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.441 0.638 . . . . 75.0 109.356 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.21 17.99 79.7 Favored Glycine 0 C--O 1.227 -0.342 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.73 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.04 -6.88 58.57 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.202 0.816 . . . . 50.0 113.202 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.58 7.27 54.03 Favored Glycine 0 C--O 1.239 0.413 0 C-N-CA 121.213 -0.518 . . . . 50.0 114.053 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.07 155.75 50.21 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.6 mt -118.43 128.01 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 105.957 -1.868 . . . . 50.0 105.957 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.503 ' HG1' ' H ' ' A' ' 31' ' ' GLU . 75.1 p -106.83 170.17 8.1 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -62.38 -27.22 68.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.511 -0.743 . . . . 25.0 110.959 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -65.35 -39.79 92.79 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 121.295 -0.878 . . . . 50.0 109.805 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' H ' ' HG1' ' A' ' 28' ' ' THR . 32.7 mt-10 -74.52 -33.52 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.921 -0.4 . . . . 50.0 109.921 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -47.17 87.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.408 -0.96 . . . . 50.0 108.408 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.24 -30.78 77.39 Favored Glycine 0 CA--C 1.511 -0.209 0 CA-C-N 115.737 -0.665 . . . . 50.0 113.711 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.2 m -64.68 -46.4 82.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.1 -41.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.974 -0.38 . . . . 50.0 109.974 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.5 mmt -57.92 -50.03 74.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -72.82 -17.55 61.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.817 -0.552 . . . . 50.0 112.09 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -23.81 58.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.506 -0.553 . . . . 50.0 109.506 173.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -91.08 -0.17 57.67 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.97 -0.559 . . . . 50.0 109.63 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.14 1.81 88.33 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 121.249 -0.501 . . . . 50.0 113.598 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -82.46 133.48 35.21 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.836 -0.802 . . . . 50.0 110.995 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -120.98 57.31 6.04 Favored Pre-proline 0 CA--C 1.561 1.397 0 N-CA-C 114.667 1.358 . . . . 50.0 114.667 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -74.59 172.79 15.49 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 117.437 -1.242 . . . . 50.0 111.497 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -75.59 162.71 28.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 25.0 109.862 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.01 -31.52 72.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.062 0.458 . . . . 25.0 110.097 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.5 77.27 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.052 -0.405 . . . . 25.0 110.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -65.16 -41.74 94.42 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.281 -0.636 . . . . 50.0 109.281 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.18 -32.55 74.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.067 -0.396 . . . . 50.0 111.09 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -70.31 -42.77 71.55 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.445 -0.502 . . . . 50.0 111.229 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -31.32 71.65 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 122.189 -0.319 . . . . 50.0 110.727 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.2 mtp -64.54 -25.34 67.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.815 -0.553 . . . . 50.0 111.085 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.06 -47.7 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.548 -0.908 . . . . 50.0 108.548 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.37 -30.31 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.189 0.596 . . . . 50.0 111.531 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -29.49 41.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.924 0.489 . . . . 50.0 112.196 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.93 -29.53 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.035 0.383 . . . . 50.0 112.035 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.2 53.14 1.69 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.888 0.852 . . . . 50.0 112.227 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.48 66.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.091 -0.959 . . . . 25.0 110.833 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.68 -17.06 56.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 122.766 0.427 . . . . 50.0 111.734 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.06 12.9 84.22 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 117.649 1.82 . . . . 50.0 117.649 173.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -3.36 48.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 119.617 1.709 . . . . 50.0 113.555 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.74 -2.91 77.45 Favored Glycine 0 C--O 1.24 0.501 0 N-CA-C 115.935 1.134 . . . . 50.0 115.935 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.6 p -136.87 163.52 30.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 119.076 1.438 . . . . 25.0 112.835 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -104.97 108.74 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 104.836 -2.283 . . . . 50.0 104.836 173.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -87.28 177.98 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -55.54 -43.67 99.26 Favored Pre-proline 0 CA--C 1.559 1.296 0 N-CA-C 115.448 1.647 . . . . 50.0 115.448 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -64.87 -28.81 58.64 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 114.497 -3.202 . . . . 50.0 113.675 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.47 -24.3 56.92 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 110.012 -0.366 . . . . 50.0 110.012 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.75 -37.04 76.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.834 -1.173 . . . . 50.0 107.834 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.14 -37.3 86.98 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.863 -0.791 . . . . 50.0 108.863 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -67.0 -36.48 82.26 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.609 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 ttm -64.81 -34.34 78.12 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.901 -0.499 . . . . 50.0 109.89 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.7 mmt -75.61 -36.47 60.25 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.099 -0.376 . . . . 50.0 110.417 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.22 71.62 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.035 -0.416 . . . . 25.0 111.953 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -80.88 0.19 36.27 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.236 -0.915 . . . . 50.0 112.622 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -104.38 -9.39 18.51 Favored 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 109.888 -0.412 . . . . 50.0 109.888 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 97.6 mmm -87.33 11.45 14.36 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.84 141.77 28.3 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.341 -1.355 . . . . 50.0 107.341 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.28 140.18 33.86 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.303 1.002 . . . . 50.0 110.04 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 t -137.54 165.27 26.71 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -65.96 -40.25 91.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 p -72.14 -11.49 60.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.558 0.577 . . . . 50.0 112.558 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -70.23 -21.7 62.98 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.904 -0.318 . . . . 25.0 111.316 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.13 -42.69 98.99 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.751 -0.593 . . . . 25.0 110.253 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.31 -37.04 84.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.552 . . . . 25.0 110.485 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.77 -41.94 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.263 -1.014 . . . . 50.0 108.263 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -66.32 -39.77 89.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.605 -0.27 . . . . 50.0 110.663 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.32 -47.98 77.33 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.585 -0.446 . . . . 50.0 110.711 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.77 83.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.056 0.455 . . . . 25.0 110.358 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -61.84 -45.04 95.51 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.406 -0.59 . . . . 50.0 109.406 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -71.65 -17.23 62.26 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.96 -41.01 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.192 -1.04 . . . . 50.0 108.192 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -83.32 -40.53 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.962 -0.461 . . . . 25.0 112.123 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -80.07 79.95 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.42 1.105 . . . . 50.0 109.562 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -70.96 -29.45 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.389 1.255 . . . . 50.0 114.389 -172.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -93.31 -8.2 42.71 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.413 0.551 . . . . 25.0 112.02 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.48 20.02 77.36 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 116.925 1.53 . . . . 25.0 116.925 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -84.41 4.45 31.46 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.863 1.801 . . . . 50.0 115.863 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.77 4.62 67.3 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.824 -0.703 . . . . 50.0 114.708 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -136.76 143.54 43.29 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -101.52 111.1 30.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.602 -1.629 . . . . 50.0 106.602 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 p -82.37 159.74 22.96 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.696 -1.224 . . . . 50.0 107.696 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.61 72.08 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.72 85.21 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.077 0.465 . . . . 25.0 111.729 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.95 -40.86 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.977 -0.379 . . . . 50.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -42.79 97.07 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.025 -0.731 . . . . 50.0 109.025 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -62.75 -31.15 72.04 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 116.376 -0.375 . . . . 50.0 111.28 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -63.14 -45.03 93.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.58 -0.848 . . . . 50.0 108.957 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.57 -44.3 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -39.55 94.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.049 0.388 . . . . 50.0 112.049 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.67 -39.04 93.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.233 0.54 . . . . 25.0 109.603 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.56 -24.07 61.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.431 -0.349 . . . . 25.0 111.495 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.95 -21.03 44.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.903 0.382 . . . . 75.0 110.965 176.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.95 7.1 53.44 Favored Glycine 0 C--O 1.238 0.388 0 CA-C-N 115.571 -0.741 . . . . 50.0 112.584 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.35 138.16 57.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.702 -0.851 . . . . 50.0 108.702 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -121.35 63.98 0.89 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 122.165 0.983 . . . . 50.0 109.662 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.09 161.11 14.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.767 -1.56 . . . . 50.0 109.247 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 168.99 12.99 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.28 -30.25 71.09 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 120.534 -0.466 . . . . 50.0 109.787 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.49 -32.73 70.36 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 122.699 0.4 . . . . 75.0 111.102 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.19 -33.07 65.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.109 -0.7 . . . . 50.0 109.109 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.86 -36.86 59.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.978 0 N-CA-C 108.639 -0.874 . . . . 50.0 108.639 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -62.41 -44.25 96.87 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.985 -0.746 . . . . 50.0 108.985 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -58.63 -39.47 80.61 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.401 -0.812 . . . . 25.0 112.239 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 42.3 ttm -65.67 -41.55 92.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.616 0.722 . . . . 75.0 111.655 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -69.82 -34.36 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.012 -0.54 . . . . 50.0 109.803 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -58.15 -29.71 65.78 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.691 0.997 . . . . 50.0 113.691 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.87 -23.86 66.06 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.383 0.611 . . . . 50.0 111.575 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.65 -20.58 13.42 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.168 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.01 76.65 8.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.027 0.751 . . . . 50.0 113.027 -172.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.8 -41.99 88.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 50.0 111.59 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.33 -8.99 58.19 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.0 19.6 67.0 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 116.575 1.39 . . . . 50.0 116.575 174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.72 2.52 54.72 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.437 1.643 . . . . 50.0 115.437 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.9 9.05 86.77 Favored Glycine 0 C--O 1.241 0.547 0 C-N-CA 121.245 -0.503 . . . . 50.0 114.197 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -133.94 167.75 20.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.18 116.02 49.05 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 N-CA-C 107.599 -1.26 . . . . 50.0 107.599 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.08 168.32 20.26 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -60.76 -43.98 97.32 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 118.493 0.588 . . . . 50.0 111.391 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.1 -39.37 93.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.827 0.822 . . . . 50.0 110.874 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.17 -28.91 67.69 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.882 -0.599 . . . . 50.0 111.164 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.49 -32.66 72.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.107 -0.331 . . . . 50.0 110.107 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.77 -41.35 90.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.87 -1.159 . . . . 50.0 107.87 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -66.31 -40.7 90.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.933 -0.48 . . . . 50.0 110.678 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.9 ttt -60.08 -42.16 94.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.13 -0.356 . . . . 50.0 111.173 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.1 ttm -76.75 -17.91 58.79 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.18 -13.35 57.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.321 0.582 . . . . 25.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.27 -166.64 1.21 Allowed 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.7 pttt . . . . . 0 C--O 1.247 0.967 0 N-CA-C 106.465 -1.68 . . . . 50.0 106.465 177.872 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -163.47 157.85 20.25 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 103.146 -2.909 . . . . 25.0 103.146 -167.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -157.32 157.49 34.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.785 -0.82 . . . . 50.0 108.785 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.12 139.17 39.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.662 -1.236 . . . . 50.0 107.662 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 m -112.23 -35.78 5.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.843 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -66.36 -30.94 71.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.989 -0.444 . . . . 50.0 111.863 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -64.32 -38.49 91.24 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 120.584 0.23 . . . . 50.0 110.63 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -64.63 -41.0 96.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.054 0.454 . . . . 75.0 110.796 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.99 -38.74 81.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.285 -1.006 . . . . 50.0 108.285 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.44 -41.32 84.96 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.766 -0.584 . . . . 25.0 110.733 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -61.76 -44.59 96.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.189 0.518 . . . . 50.0 111.125 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -66.95 -30.09 70.13 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.627 -0.671 . . . . 25.0 110.682 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -69.22 -40.45 77.96 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.255 -0.278 . . . . 50.0 110.396 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -68.61 -39.36 80.88 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.331 -0.548 . . . . 50.0 109.936 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.65 -34.72 78.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.681 0.277 . . . . 25.0 110.714 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -69.5 -43.94 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.888 -0.412 . . . . 50.0 109.888 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.4 t -65.92 -20.56 66.26 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.062 0.458 . . . . 50.0 111.62 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.48 -38.59 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.366 -0.976 . . . . 50.0 108.366 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -89.08 -40.99 12.57 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.53 89.39 3.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.953 0.882 . . . . 50.0 110.722 -178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -76.15 -20.32 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.676 1.732 . . . . 75.0 115.676 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -108.5 -5.45 16.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.346 0.869 . . . . 75.0 113.346 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.63 19.99 77.17 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 116.183 1.233 . . . . 25.0 116.183 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -81.91 0.22 40.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.639 0.978 . . . . 50.0 113.639 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 3.66 71.92 Favored Glycine 0 CA--C 1.519 0.318 0 N-CA-C 114.844 0.698 . . . . 50.0 114.844 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -133.4 156.76 47.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.329 0.565 . . . . 25.0 111.796 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -112.88 116.22 52.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.255 -1.387 . . . . 50.0 107.255 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.548 ' HG1' ' H ' ' A' ' 31' ' ' GLU . 38.5 p -91.9 166.54 12.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 p -60.82 -32.86 72.22 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -58.99 -44.12 91.55 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.853 0.835 . . . . 50.0 110.503 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.548 ' H ' ' HG1' ' A' ' 28' ' ' THR . 28.1 mt-10 -77.0 -35.81 56.85 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.864 -0.607 . . . . 50.0 111.854 -175.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.62 -45.79 92.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.27 76.67 Favored Glycine 0 C--O 1.221 -0.678 0 CA-C-N 115.647 -0.706 . . . . 50.0 113.418 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.0 m -63.51 -40.55 97.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.601 0.7 . . . . 25.0 109.743 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.46 -43.33 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.82 -0.437 . . . . 50.0 109.82 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.65 -40.52 97.07 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 112.506 0.558 . . . . 50.0 112.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -74.08 -18.73 60.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.335 -0.853 . . . . 50.0 112.015 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -74.86 -20.49 59.72 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.781 -0.822 . . . . 50.0 108.781 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.27 9.35 34.27 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.527 -0.546 . . . . 50.0 109.527 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.74 4.04 90.32 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 115.011 0.764 . . . . 50.0 115.011 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -82.66 148.9 27.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.503 0.652 . . . . 50.0 110.892 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -123.04 66.61 30.87 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.226 -0.443 . . . . 50.0 110.841 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.1 163.11 39.75 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 117.897 -0.935 . . . . 50.0 112.031 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.2 p -80.72 165.27 22.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -63.47 -31.17 72.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.42 -41.57 80.18 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.539 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.55 -38.22 90.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.236 1.017 . . . . 50.0 109.924 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.33 -27.74 65.63 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.555 -0.716 . . . . 50.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.41 -48.22 29.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 119.59 -0.243 . . . . 50.0 111.196 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.16 -27.79 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.159 0.8 . . . . 50.0 113.159 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.7 mtt -67.91 -24.83 65.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.845 -0.535 . . . . 50.0 111.496 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -44.95 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.249 -0.648 . . . . 50.0 109.249 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.34 -30.59 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 117.714 0.233 . . . . 50.0 111.183 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.0 -30.31 46.77 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.496 0.925 . . . . 50.0 113.496 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -4.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -176.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.97 62.09 4.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.875 0.845 . . . . 50.0 111.8 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.2 68.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -92.11 -3.72 55.31 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.56 18.48 71.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.093 1.197 . . . . 50.0 116.093 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -84.05 -0.76 53.01 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.953 1.377 . . . . 50.0 114.652 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.15 0.84 80.02 Favored Glycine 0 C--O 1.239 0.413 0 N-CA-C 116.595 1.398 . . . . 50.0 116.595 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.2 p -135.31 159.58 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.949 0.874 . . . . 25.0 111.378 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -90.52 115.3 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 104.16 -2.533 . . . . 50.0 104.16 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -93.46 168.99 10.69 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 -177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.89 -48.21 92.31 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 115.467 1.654 . . . . 50.0 115.467 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.83 -23.53 22.24 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 113.726 -3.716 . . . . 50.0 114.296 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.88 -34.14 66.5 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -64.65 -39.75 94.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.339 0.59 . . . . 50.0 109.722 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.72 -37.59 86.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.417 -0.356 . . . . 50.0 110.072 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -66.4 -33.57 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.161 -0.337 . . . . 25.0 111.162 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.1 ttm -63.1 -40.66 98.3 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.155 -0.683 . . . . 50.0 109.155 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -38.31 68.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.658 -0.497 . . . . 50.0 109.658 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.68 97.54 Favored 'General case' 0 C--O 1.214 -0.816 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -69.91 -16.19 63.18 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.305 -0.872 . . . . 50.0 111.717 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -85.05 -32.81 22.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.453 -0.943 . . . . 50.0 108.453 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.5 mtt -90.86 46.52 1.33 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.531 -0.914 . . . . 50.0 108.531 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -57.97 154.42 12.51 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.955 1.094 . . . . 50.0 113.955 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -66.55 161.4 23.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.5 -1.227 . . . . 50.0 110.982 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.9 p -125.39 26.18 6.9 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.27 -174.0 2.22 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.004 -1.453 . . . . 25.0 111.692 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.5 p 61.17 22.69 12.97 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 115.997 1.851 . . . . 50.0 115.997 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.82 -35.95 69.38 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.391 -0.818 . . . . 25.0 112.204 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -69.24 -36.18 76.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.627 -0.671 . . . . 25.0 110.507 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.05 -36.69 82.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.62 -39.02 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.963 -0.754 . . . . 50.0 108.963 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -65.2 -39.43 92.81 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 122.054 -0.404 . . . . 50.0 111.382 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -70.03 -38.42 75.88 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.847 -0.341 . . . . 50.0 110.894 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.25 79.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.846 0.355 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.72 -38.85 79.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.59 0.234 . . . . 50.0 110.402 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -69.66 -15.05 63.11 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.666 1.358 . . . . 50.0 114.666 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.0 t -66.78 -35.92 75.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 107.067 -1.457 . . . . 50.0 107.067 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.03 -54.01 4.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.356 -0.838 . . . . 25.0 109.487 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -81.4 76.94 8.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.868 0.842 . . . . 50.0 110.34 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -71.39 -14.28 62.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 50.0 112.403 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -75.6 -25.42 56.97 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.3 76.91 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.431 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -91.57 2.02 56.74 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.21 1.189 . . . . 50.0 114.21 -174.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.44 5.69 65.0 Favored Glycine 0 C--O 1.235 0.176 0 N-CA-C 114.322 0.489 . . . . 50.0 114.322 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -140.28 133.88 30.21 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.95 0.375 . . . . 50.0 111.672 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -97.98 118.11 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 107.233 -1.395 . . . . 50.0 107.233 173.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.424 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 86.7 p -89.87 168.37 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.13 -0.322 . . . . 50.0 110.13 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.4 79.29 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.164 -0.335 . . . . 25.0 110.4 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.04 82.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.625 0.726 . . . . 25.0 111.229 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' H ' ' HG ' ' A' ' 101' ' ' SER . 21.8 mt-10 -75.42 -37.24 60.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.86 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.44 -43.72 84.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -58.85 -32.22 69.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 50.0 111.3 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -61.32 -45.72 93.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.988 -0.445 . . . . 50.0 110.12 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.47 -40.59 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 50.0 110.225 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -35.66 77.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.238 0.542 . . . . 50.0 112.134 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 m -63.04 -38.8 92.65 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -72.48 -26.13 61.68 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.19 -0.319 . . . . 25.0 111.457 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.31 -20.17 57.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.815 0.34 . . . . 75.0 110.442 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.47 16.85 51.75 Favored Glycine 0 C--O 1.238 0.394 0 CA-C-N 116.042 -0.526 . . . . 50.0 113.356 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -69.91 159.66 33.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.733 0.778 . . . . 50.0 112.114 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -129.6 56.91 1.69 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.273 -0.876 . . . . 50.0 111.398 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.61 162.59 12.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.317 -0.856 . . . . 50.0 108.844 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -88.21 166.52 14.3 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.95 -30.74 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.52 0.676 . . . . 50.0 109.663 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -66.59 -38.85 87.87 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.162 -0.927 . . . . 75.0 111.769 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.68 -37.05 81.8 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.372 0.606 . . . . 50.0 109.718 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.91 -34.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.51 -39.34 88.6 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.958 -0.464 . . . . 50.0 110.037 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.85 -33.85 76.98 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.941 -0.704 . . . . 25.0 110.911 174.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.1 mtp -67.32 -34.5 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.728 -0.607 . . . . 75.0 111.729 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.26 -38.82 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.857 -0.794 . . . . 50.0 108.857 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -61.07 -27.26 68.23 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.473 0.916 . . . . 50.0 113.473 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.03 -30.15 65.9 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.699 0.259 . . . . 50.0 111.699 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -112.34 -6.03 14.08 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -83.93 79.3 9.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.052 0.929 . . . . 50.0 111.503 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -41.25 87.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.138 -0.937 . . . . 50.0 112.193 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -11.0 52.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.517 1.302 . . . . 50.0 114.517 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.92 21.11 59.89 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 117.666 1.826 . . . . 50.0 117.666 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 -0.29 55.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.862 1.331 . . . . 50.0 114.483 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.89 6.75 75.5 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.454 -0.403 . . . . 50.0 113.938 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -139.86 171.44 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.674 -0.491 . . . . 50.0 109.674 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.15 117.27 50.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.341 -0.985 . . . . 50.0 108.341 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.83 167.79 20.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.286 -1.376 . . . . 50.0 107.286 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.28 -43.88 92.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.882 -0.511 . . . . 50.0 111.906 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -64.11 -41.14 97.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.347 0.594 . . . . 50.0 111.147 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.33 -35.59 81.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.588 -0.733 . . . . 50.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.62 -40.07 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.13 -0.357 . . . . 50.0 110.759 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.97 -38.69 78.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.05 -41.64 99.53 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.719 -0.613 . . . . 50.0 110.305 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.2 ttp -61.52 -36.38 80.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 50.0 110.498 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.5 ttm -67.06 -25.57 66.32 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.2 t -109.73 21.45 16.91 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.359 0.6 . . . . 25.0 110.654 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.69 162.59 12.93 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.68 0.753 . . . . 25.0 111.355 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.0 pttp . . . . . 0 C--O 1.244 0.781 0 CA-C-O 117.286 -1.34 . . . . 50.0 111.19 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 117.774 -1.108 . . . . 25.0 108.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 50.74 49.26 21.32 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.859 1.349 . . . . 25.0 111.399 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.18 135.09 55.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.475 -0.784 . . . . 50.0 110.835 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mp -105.58 156.83 17.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.488 -0.778 . . . . 50.0 111.172 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -62.36 -26.76 68.63 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.59 -0.732 . . . . 25.0 110.351 175.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.14 -27.88 69.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.756 0.65 . . . . 50.0 112.756 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.38 -39.62 92.47 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -67.27 -40.65 86.21 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.251 -0.431 . . . . 75.0 110.322 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.33 -36.64 74.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.54 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.973 -0.454 . . . . 25.0 110.146 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.19 -40.52 97.76 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.764 0.792 . . . . 50.0 110.203 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -70.6 -22.56 62.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.729 -0.607 . . . . 25.0 111.13 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.03 -34.68 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.97 -37.99 75.93 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.815 -0.754 . . . . 50.0 109.53 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.04 79.65 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.179 -0.325 . . . . 25.0 110.667 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -66.19 -43.14 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.199 -0.313 . . . . 50.0 110.234 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -65.5 -25.28 67.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.452 . . . . 50.0 111.348 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.66 -27.39 66.82 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.084 -0.385 . . . . 50.0 110.719 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -92.5 -32.19 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.546 0.339 . . . . 50.0 111.468 174.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -79.39 78.33 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.014 0.911 . . . . 50.0 109.33 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.78 -23.92 67.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.769 1.026 . . . . 75.0 113.769 -173.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -103.79 -8.45 19.79 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.742 1.016 . . . . 75.0 113.742 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.98 14.12 82.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 118.024 1.969 . . . . 25.0 118.024 174.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -82.41 1.06 39.16 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.294 1.59 . . . . 50.0 115.294 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.72 69.03 Favored Glycine 0 C--O 1.238 0.384 0 N-CA-C 115.279 0.872 . . . . 50.0 115.279 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.4 p -135.84 155.84 49.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.518 0.659 . . . . 25.0 110.003 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt -111.28 116.1 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.71 -1.219 . . . . 50.0 107.71 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -100.93 168.89 9.33 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.254 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -34.04 67.51 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.621 -0.675 . . . . 25.0 112.251 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 50.0 110.305 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.92 -40.04 63.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.138 -0.483 . . . . 50.0 110.995 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.84 -43.99 97.73 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.169 -0.678 . . . . 50.0 109.169 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.05 82.91 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 115.344 -0.844 . . . . 50.0 112.779 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.5 m -64.83 -45.0 88.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.22 -42.67 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 122.247 -0.283 . . . . 50.0 110.505 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -60.06 -43.0 95.74 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.721 -0.391 . . . . 50.0 111.377 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.19 -21.26 59.9 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.404 -0.81 . . . . 50.0 112.249 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -71.36 -28.12 63.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.79 7.64 26.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.891 -0.595 . . . . 50.0 110.378 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.47 87.89 Favored Glycine 0 C--O 1.225 -0.454 0 N-CA-C 114.668 0.627 . . . . 50.0 114.668 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -80.74 160.15 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.987 -0.714 . . . . 50.0 110.381 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.96 68.16 62.97 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -72.33 157.6 53.12 Favored 'Trans proline' 0 CA--C 1.512 -0.586 0 C-N-CA 117.294 -1.337 . . . . 50.0 113.217 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.6 p -81.77 163.98 22.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -68.61 -28.41 66.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.213 -0.929 . . . . 25.0 109.582 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.09 80.38 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.157 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -62.02 -44.06 97.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.117 0.96 . . . . 50.0 109.512 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.13 -30.04 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.574 . . . . 50.0 110.769 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -73.83 -44.91 54.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 118.988 -0.53 . . . . 50.0 111.344 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.12 -29.76 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.466 1.03 . . . . 50.0 111.648 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.0 mtp -64.72 -26.44 68.37 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.431 -0.508 . . . . 50.0 110.942 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.1 -47.92 16.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.542 -0.299 . . . . 50.0 110.274 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.24 -28.43 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 122.899 0.48 . . . . 50.0 111.806 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.98 -27.99 34.94 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.807 1.04 . . . . 50.0 113.807 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.37 -11.58 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 114.38 1.252 . . . . 50.0 114.38 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.54 51.86 1.75 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.316 0.858 . . . . 50.0 113.316 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.16 64.18 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.097 0.475 . . . . 25.0 111.155 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -79.9 -19.28 48.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.738 0.815 . . . . 50.0 111.713 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 17.32 78.03 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 117.483 1.753 . . . . 50.0 117.483 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -4.25 58.79 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.917 1.359 . . . . 50.0 113.663 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.31 7.16 87.04 Favored Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.46 1.344 . . . . 50.0 116.46 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.4 p -137.14 154.2 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.738 0.769 . . . . 25.0 111.066 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.6 mt -87.19 114.55 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.347 -1.723 . . . . 50.0 106.347 173.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -87.89 173.14 9.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.843 -1.169 . . . . 50.0 107.843 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.27 -49.69 92.48 Favored Pre-proline 0 CA--C 1.559 1.312 0 N-CA-C 115.036 1.495 . . . . 50.0 115.036 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.4 -21.74 30.12 Favored 'Trans proline' 0 C--N 1.357 0.994 1 C-N-CA 112.34 -4.64 . . . . 50.0 113.397 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.02 -32.43 63.36 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.841 -0.537 . . . . 50.0 109.982 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -66.08 -40.83 91.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.508 -0.923 . . . . 50.0 108.508 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.18 -37.48 85.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.637 -0.71 . . . . 50.0 110.24 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -65.22 -41.13 94.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttp -59.69 -40.75 88.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.303 0.573 . . . . 50.0 110.077 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.3 mtp -68.38 -41.69 80.21 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.632 -0.427 . . . . 50.0 110.445 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -32.62 74.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.785 0.291 . . . . 25.0 111.785 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -63.99 -18.79 64.64 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 111.799 0.296 . . . . 50.0 111.799 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -95.59 -15.8 22.54 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 112.214 0.45 . . . . 50.0 112.214 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.8 mtt -90.52 -27.19 19.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.19 0.519 . . . . 50.0 110.998 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -77.91 153.81 32.24 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.631 -0.507 . . . . 50.0 109.631 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 51.44 47.0 25.64 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 124.211 0.944 . . . . 50.0 112.035 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 m -54.69 123.02 11.94 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.457 0.646 . . . . 25.0 111.19 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -80.68 144.34 32.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -174.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.4 p -77.02 -7.31 55.42 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.101 -0.703 . . . . 50.0 109.101 171.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -63.47 -25.21 68.16 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.044 -0.525 . . . . 25.0 111.14 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.62 -37.01 85.37 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.603 -0.686 . . . . 25.0 110.126 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.64 -37.87 83.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 25.0 109.577 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.8 mt -66.9 -37.2 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -63.76 -41.27 98.02 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.211 -0.306 . . . . 50.0 110.731 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.99 -41.34 77.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.232 -0.587 . . . . 50.0 110.141 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.41 80.09 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.969 0.414 . . . . 25.0 111.834 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.22 -42.01 94.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.569 -0.53 . . . . 50.0 109.569 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -67.69 -21.4 65.33 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.752 1.019 . . . . 50.0 113.752 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.77 -41.58 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 108.885 -0.783 . . . . 50.0 108.885 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -80.47 -31.78 37.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.213 -0.304 . . . . 25.0 111.366 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.49 56.95 3.79 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.553 1.168 . . . . 50.0 109.223 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -64.06 -23.94 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 50.0 112.981 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -85.73 -7.42 58.79 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.22 0.464 . . . . 25.0 112.066 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.46 13.34 82.99 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 118.234 2.054 . . . . 25.0 118.234 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -87.62 1.67 53.03 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.549 1.675 . . . . 50.0 115.377 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.0 5.08 68.38 Favored Glycine 0 C--O 1.227 -0.311 0 N-CA-C 115.955 1.142 . . . . 50.0 115.955 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.11 152.2 45.93 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.748 -0.834 . . . . 50.0 108.748 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.9 mt -105.63 110.6 31.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 N-CA-C 107.57 -1.27 . . . . 50.0 107.57 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.0 p -85.38 163.34 18.6 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.577 -0.449 . . . . 50.0 109.798 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.89 77.51 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.229 0.538 . . . . 25.0 109.606 173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.92 -32.16 73.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.807 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -79.5 -41.32 27.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.667 -0.242 . . . . 50.0 110.736 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.2 -47.86 82.58 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.967 -0.693 . . . . 50.0 109.327 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -27.9 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.715 -0.394 . . . . 50.0 111.571 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -66.61 -47.18 73.47 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.486 -0.759 . . . . 50.0 109.77 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -41.3 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 50.0 110.019 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.8 -38.47 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.372 -0.205 . . . . 50.0 111.502 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.6 m -63.9 -37.29 86.86 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.114 -0.366 . . . . 25.0 110.117 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.39 -22.04 62.8 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.002 -0.436 . . . . 25.0 110.717 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 mt -87.2 -7.22 58.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 75.0 110.605 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.49 65.21 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 115.264 0.866 . . . . 50.0 115.264 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.27 160.17 31.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 50.0 111.675 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -127.24 49.15 2.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.178 0.513 . . . . 50.0 111.906 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.19 163.48 25.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.164 -0.925 . . . . 50.0 110.384 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 79.6 p -95.55 168.73 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -29.67 69.25 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.085 -0.646 . . . . 50.0 110.436 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.51 -33.13 62.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 119.77 -0.157 . . . . 75.0 111.408 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.23 -38.99 91.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.393 -0.966 . . . . 50.0 108.393 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.99 -42.7 77.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 50.0 109.639 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.8 -47.99 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.12 -34.07 77.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.587 -0.696 . . . . 25.0 112.64 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -70.31 -34.43 72.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.829 -0.544 . . . . 75.0 111.98 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.4 mm -67.13 -37.46 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.28 -1.007 . . . . 50.0 108.28 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.146 0.795 . . . . 50.0 113.146 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.92 -27.92 67.16 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.528 0.204 . . . . 50.0 111.299 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -109.05 -18.65 13.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -79.37 78.74 5.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.934 0.873 . . . . 50.0 113.11 -173.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.08 -42.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.117 -0.947 . . . . 50.0 111.719 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -85.38 -3.6 58.89 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.205 1.187 . . . . 50.0 114.205 -176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.02 20.77 79.68 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 117.189 1.636 . . . . 50.0 117.189 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.23 -0.1 56.19 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.133 1.531 . . . . 50.0 115.133 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.06 75.53 Favored Glycine 0 C--O 1.245 0.823 0 C-N-CA 121.079 -0.582 . . . . 50.0 113.112 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -138.44 168.43 19.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 50.0 109.775 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -103.79 120.65 54.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 107.716 -1.216 . . . . 50.0 107.716 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -81.94 169.62 16.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.534 -2.024 . . . . 50.0 105.534 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.18 -46.89 88.18 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.982 0.734 . . . . 50.0 112.982 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -61.79 -40.13 94.13 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.582 0.706 . . . . 50.0 111.255 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -35.29 80.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.224 -0.898 . . . . 50.0 111.478 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -67.18 -40.63 86.58 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.709 0.29 . . . . 50.0 110.376 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.6 -42.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.482 -0.932 . . . . 50.0 108.482 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -63.35 -42.22 98.89 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.536 -0.102 . . . . 50.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.3 ttt -60.4 -37.12 79.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.958 0.408 . . . . 50.0 111.126 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.2 ttm -71.89 -10.76 60.24 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.0 t -127.67 26.87 5.85 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.318 0.58 . . . . 25.0 109.558 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.75 164.97 9.06 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.633 0.73 . . . . 25.0 111.142 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.092 -0.956 . . . . 50.0 111.286 -176.665 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 118.2 -0.905 . . . . 25.0 109.216 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -57.29 96.37 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.538 0.685 . . . . 25.0 112.765 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -150.3 161.85 41.65 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.283 -1.747 . . . . 50.0 106.283 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.1 tp -62.73 -27.53 69.34 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.224 0.535 . . . . 50.0 111.495 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -25.21 64.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -67.03 -19.47 65.7 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 112.025 0.38 . . . . 50.0 112.025 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -63.42 -45.12 92.42 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.92 -35.35 74.5 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.844 -0.535 . . . . 75.0 110.532 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.4 -36.3 74.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.635 -0.876 . . . . 50.0 108.635 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.38 74.81 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 122.104 -0.372 . . . . 25.0 111.261 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.87 -47.47 84.79 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.931 0.872 . . . . 50.0 108.71 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -72.07 -19.8 61.76 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.844 -0.617 . . . . 25.0 111.362 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -73.07 -42.25 63.25 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.047 -0.408 . . . . 50.0 110.353 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.87 -37.82 73.08 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.923 -0.769 . . . . 50.0 108.923 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.64 74.34 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.107 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -61.59 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.969 -0.752 . . . . 50.0 108.969 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.8 t -64.56 -33.54 76.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.281 0.562 . . . . 50.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -37.09 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 50.0 110.301 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -83.61 -35.76 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.835 0.68 . . . . 50.0 112.835 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.37 92.81 5.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.761 0.791 . . . . 50.0 110.796 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.09 -21.82 61.44 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 115.515 1.672 . . . . 75.0 115.515 -171.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -116.64 0.16 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.953 1.094 . . . . 75.0 113.953 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.0 24.56 75.71 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 115.463 0.945 . . . . 25.0 115.463 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -83.0 -5.36 59.07 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.98 74.84 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 114.572 0.589 . . . . 50.0 114.572 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.1 p -137.43 154.06 50.02 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 117.265 0.532 . . . . 25.0 110.893 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.4 mt -116.9 122.55 70.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.887 -1.153 . . . . 50.0 107.887 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -90.79 167.43 12.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -61.62 -27.83 68.94 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.228 0.537 . . . . 25.0 110.773 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -71.98 -41.2 67.95 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.71 -0.619 . . . . 50.0 110.231 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -67.23 -42.08 84.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 50.0 110.13 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.64 -49.57 77.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.364 0.602 . . . . 50.0 110.199 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -33.08 86.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 115.871 -0.604 . . . . 50.0 113.415 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.8 m -64.59 -45.33 87.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.231 -0.57 . . . . 25.0 109.779 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.04 -39.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.651 -0.419 . . . . 50.0 110.893 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.28 -43.54 88.06 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.02 -0.425 . . . . 50.0 110.015 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -73.68 -22.62 59.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.032 0.752 . . . . 50.0 113.032 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -72.39 -29.13 63.48 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.275 -0.639 . . . . 50.0 109.275 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.27 -1.41 44.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.716 0.807 . . . . 50.0 110.625 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.27 3.98 81.49 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-N 116.445 -0.343 . . . . 50.0 113.749 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -78.65 147.99 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.611 0.705 . . . . 50.0 109.396 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -117.17 57.18 1.91 Allowed Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.007 0.743 . . . . 50.0 113.007 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.04 160.43 42.88 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 115.907 -2.262 . . . . 50.0 113.065 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -77.84 163.22 26.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -72.73 -18.94 61.47 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.398 -0.814 . . . . 25.0 110.17 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.56 68.26 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 122.516 -0.115 . . . . 25.0 110.834 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.24 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.079 0.942 . . . . 50.0 108.666 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.64 -23.48 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.479 -0.782 . . . . 50.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -79.54 -49.78 11.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 119.315 -0.374 . . . . 50.0 111.022 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -69.56 -28.61 66.13 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.881 0.764 . . . . 50.0 112.274 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mtp -61.24 -33.03 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 50.0 110.638 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -85.37 -46.23 17.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-N 116.224 -0.444 . . . . 50.0 110.993 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.73 -33.38 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 117.777 0.262 . . . . 50.0 111.509 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.99 -21.31 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.317 1.228 . . . . 50.0 114.317 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.93 -16.79 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 -177.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -84.28 51.53 2.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.399 0.68 . . . . 50.0 111.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -20.21 66.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.276 0.56 . . . . 25.0 111.15 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.394 0.678 . . . . 50.0 110.962 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.35 14.41 81.97 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 117.64 1.816 . . . . 50.0 117.64 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -78.79 -1.62 35.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.517 1.658 . . . . 50.0 114.088 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.46 4.08 90.28 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 115.265 0.866 . . . . 50.0 115.265 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.8 p -136.06 161.49 35.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.266 0.533 . . . . 25.0 110.395 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.7 mt -90.38 116.78 32.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.725 -1.583 . . . . 50.0 106.725 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.93 173.37 8.26 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.384 -0.969 . . . . 50.0 108.384 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.45 -51.27 79.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 50.0 115.833 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.02 -21.29 24.35 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 113.366 -3.956 . . . . 50.0 113.536 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.37 -34.44 65.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.022 -0.733 . . . . 50.0 109.022 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -68.2 -36.94 80.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 50.0 109.809 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -46.15 89.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 m -65.91 -42.96 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 25.0 111.176 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.8 ttp -59.88 -42.08 92.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.304 0.573 . . . . 50.0 110.397 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.8 mmm -75.2 -34.36 61.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.994 0.368 . . . . 50.0 111.994 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.91 79.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.906 0.384 . . . . 25.0 110.138 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -65.59 -20.09 66.18 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.552 0.575 . . . . 50.0 112.552 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -94.71 -11.67 28.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.752 0.279 . . . . 50.0 111.752 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 98.5 mtp -128.4 42.38 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.418 0.628 . . . . 50.0 110.409 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -69.7 165.05 22.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.928 -0.767 . . . . 50.0 108.928 173.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -79.7 -166.5 1.0 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.486 -0.779 . . . . 50.0 109.189 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.27 -49.2 4.54 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 118.596 2.813 . . . . 25.0 118.596 -167.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -13.93 92.45 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 -169.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.3 p -68.82 140.91 55.25 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 122.226 1.012 . . . . 50.0 113.352 -165.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.62 -34.78 74.75 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 114.986 -1.006 . . . . 25.0 111.287 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -62.99 -42.67 99.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 -174.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.85 -44.74 88.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.71 0.767 . . . . 25.0 110.121 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.95 -39.45 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.587 -0.733 . . . . 50.0 109.618 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -65.28 -39.06 92.08 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.836 -0.54 . . . . 50.0 112.261 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.18 -43.35 91.97 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.735 -0.786 . . . . 50.0 109.856 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.02 89.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.361 0.601 . . . . 25.0 111.235 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.47 -42.46 98.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.346 0.593 . . . . 50.0 110.683 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -69.1 -13.77 62.62 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 114.484 1.29 . . . . 50.0 114.484 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.67 -38.57 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 107.992 -1.114 . . . . 50.0 107.992 174.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -89.89 -44.37 9.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.232 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.15 64.08 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.12 0.962 . . . . 50.0 108.658 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -60.03 -31.23 69.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.713 -1.13 . . . . 50.0 112.312 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.0 -18.82 49.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.47 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.14 24.96 65.01 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 117.733 1.853 . . . . 25.0 117.733 172.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.52 -0.08 56.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.649 1.352 . . . . 50.0 114.649 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.45 2.69 61.67 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.567 0.587 . . . . 50.0 114.567 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -139.5 138.88 36.75 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.517 0.327 . . . . 50.0 110.277 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.96 111.31 27.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 105.683 -1.969 . . . . 50.0 105.683 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.8 p -82.26 163.07 22.09 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.867 -0.733 . . . . 50.0 109.429 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.52 79.09 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.26 83.33 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.99 0.424 . . . . 25.0 111.467 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.79 -43.77 71.43 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.95 -0.389 . . . . 50.0 109.95 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.62 -41.7 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.49 0.662 . . . . 50.0 109.424 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -38.07 83.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 50.0 111.018 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.84 -45.41 86.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.306 -0.247 . . . . 50.0 110.565 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.64 -45.17 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mmt -62.58 -40.58 97.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.353 -0.217 . . . . 50.0 111.569 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.6 m -62.74 -38.87 92.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.729 0.3 . . . . 25.0 110.539 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.95 -28.06 62.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.307 -0.246 . . . . 25.0 111.174 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 mt -72.82 -25.25 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.852 -0.425 . . . . 75.0 109.852 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 122.83 -16.84 8.26 Favored Glycine 0 C--N 1.328 0.114 0 CA-C-N 116.055 -0.521 . . . . 50.0 112.487 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -71.23 134.32 46.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 50.0 110.312 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -114.69 54.57 0.77 Allowed 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.607 0.718 . . . . 50.0 110.496 -174.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.43 163.32 27.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.224 -1.353 . . . . 50.0 107.357 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -92.35 168.02 11.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.51 -34.56 78.06 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -64.36 -40.52 96.0 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.542 -1.208 . . . . 75.0 112.24 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.17 -37.36 85.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.542 0.686 . . . . 50.0 109.902 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -71.56 -34.42 52.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 116.112 -0.495 . . . . 50.0 110.162 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.32 -44.89 96.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.177 0.513 . . . . 50.0 109.802 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.72 -37.52 82.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.12 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 95.8 mtp -69.45 -38.08 77.62 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.412 0.523 . . . . 75.0 112.412 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.17 -38.27 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.757 -0.831 . . . . 50.0 108.757 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -60.39 -25.04 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 50.0 114.036 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.05 -20.69 66.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.085 0.402 . . . . 50.0 112.085 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -123.38 3.43 9.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -86.77 76.85 9.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.503 0.668 . . . . 50.0 111.208 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.4 -44.26 97.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.712 -0.677 . . . . 50.0 112.035 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -87.34 -2.59 58.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.047 1.129 . . . . 50.0 114.047 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.11 17.39 80.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 116.987 1.555 . . . . 50.0 116.987 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.22 1.53 50.43 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.153 1.538 . . . . 50.0 115.153 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.08 10.1 84.32 Favored Glycine 0 C--O 1.24 0.476 0 C-N-CA 121.325 -0.464 . . . . 50.0 114.23 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -137.78 171.14 14.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.19 116.71 47.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.776 -1.565 . . . . 50.0 106.776 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.94 166.64 23.05 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.44 -1.689 . . . . 50.0 106.44 -177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -59.43 -43.58 93.08 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 120.416 -0.514 . . . . 50.0 110.775 174.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.23 -37.86 88.88 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.463 0.649 . . . . 50.0 112.363 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.24 -34.79 76.86 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.197 -0.668 . . . . 50.0 109.197 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -69.07 -38.01 78.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.164 -0.471 . . . . 50.0 111.032 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.78 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -63.39 -37.43 87.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 50.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.5 ttm -64.4 -39.02 93.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.217 0.532 . . . . 50.0 111.181 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ttt -76.11 -33.4 59.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.1 t -88.67 -5.64 58.0 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.229 0.826 . . . . 25.0 113.229 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.62 168.41 14.35 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.115 0.784 . . . . 25.0 113.115 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 C--O 1.245 0.854 0 N-CA-C 105.886 -1.894 . . . . 50.0 105.886 177.698 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 118.532 -0.747 . . . . 25.0 109.827 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -153.46 -178.19 6.84 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -73.33 161.47 30.44 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.615 0.721 . . . . 50.0 112.039 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.65 129.42 39.8 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.151 -0.477 . . . . 50.0 110.241 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -86.87 -32.04 20.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.423 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.89 -32.28 73.43 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.098 0.777 . . . . 50.0 113.098 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -64.86 -38.24 90.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.96 0.41 . . . . 50.0 109.929 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.54 -41.41 79.9 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.84 -0.43 . . . . 75.0 109.84 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.4 -37.59 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.589 -0.893 . . . . 50.0 108.589 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.05 -46.73 83.11 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.402 0.546 . . . . 25.0 111.03 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.2 -44.7 88.21 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.72 0.771 . . . . 50.0 111.222 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.56 -28.65 67.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.742 -0.599 . . . . 25.0 112.036 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.54 -38.72 74.24 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.25 -43.26 87.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.6 78.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.782 0.433 . . . . 25.0 111.533 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -68.73 -45.5 71.36 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 120.965 0.412 . . . . 50.0 110.047 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.1 t -67.18 -20.38 65.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.397 0.618 . . . . 50.0 111.337 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -27.71 65.81 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 116.18 -0.464 . . . . 50.0 110.384 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.02 -41.41 8.77 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.614 0.365 . . . . 50.0 111.234 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.95 101.67 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.654 0.781 . . . . 50.0 109.109 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -70.57 -24.64 62.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 121.772 -0.58 . . . . 75.0 111.681 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -84.48 -27.65 27.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.296 0.569 . . . . 75.0 110.476 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 15.58 78.51 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.389 -0.823 . . . . 25.0 113.632 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -79.31 -25.85 42.33 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.739 1.015 . . . . 50.0 113.739 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.13 -2.35 8.38 Favored Glycine 0 C--O 1.241 0.57 0 C-N-CA 121.451 -0.405 . . . . 50.0 114.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -134.59 146.57 49.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 117.458 0.629 . . . . 25.0 111.367 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.13 124.61 69.94 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 107.02 -1.474 . . . . 50.0 107.02 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 t -104.06 169.91 8.22 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.0 p -56.0 -39.16 71.48 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.445 0.64 . . . . 25.0 111.71 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -60.7 -42.68 97.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.55 0.69 . . . . 50.0 110.606 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.78 -42.26 70.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.031 -0.531 . . . . 50.0 110.505 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.12 -41.81 93.44 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.338 -0.986 . . . . 50.0 108.338 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.9 -33.32 85.37 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 121.465 -0.398 . . . . 50.0 113.543 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.6 m -67.49 -44.9 77.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.34 -43.38 94.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.908 -0.405 . . . . 50.0 109.908 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.4 -45.85 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.117 0.414 . . . . 50.0 112.117 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -70.47 -23.89 62.77 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.534 0.939 . . . . 50.0 113.534 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -69.88 -30.19 67.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.21 -2.67 58.79 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.03 -0.532 . . . . 50.0 111.623 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.48 1.89 65.95 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 115.25 0.86 . . . . 50.0 115.25 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -82.59 155.44 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.904 -0.763 . . . . 50.0 111.774 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -127.1 54.86 13.27 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 115.494 1.665 . . . . 50.0 115.494 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.01 151.26 61.79 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 115.488 -2.541 . . . . 50.0 113.249 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.5 p -74.05 161.97 29.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.98 -18.78 62.6 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.455 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.61 69.0 Favored 'General case' 0 C--O 1.205 -1.263 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.4 -38.82 88.35 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 108.8 -0.815 . . . . 50.0 108.8 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.9 -35.38 80.48 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.77 -0.581 . . . . 50.0 110.301 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -68.89 -44.3 73.48 Favored 'General case' 0 C--O 1.198 -1.609 0 N-CA-C 108.714 -0.847 . . . . 50.0 108.714 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.79 -45.49 94.2 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-O 121.895 0.855 . . . . 50.0 111.581 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.6 mtt -60.79 -24.47 65.82 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 112.454 0.538 . . . . 50.0 112.454 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -86.26 -45.56 16.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.622 -0.881 . . . . 50.0 108.622 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.24 -30.27 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 112.251 0.463 . . . . 50.0 112.251 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -52.36 -32.75 39.95 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.284 0.846 . . . . 50.0 113.284 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -9.9 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.073 1.138 . . . . 50.0 114.073 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -83.85 52.08 2.2 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 123.287 0.635 . . . . 50.0 110.812 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.28 61.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.025 0.44 . . . . 25.0 111.688 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -82.71 -9.48 59.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.38 -0.373 . . . . 50.0 111.908 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.92 79.19 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 116.469 1.348 . . . . 50.0 116.469 175.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.86 -6.05 58.29 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.192 1.496 . . . . 50.0 113.965 -176.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.62 -2.08 84.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 117.153 1.621 . . . . 50.0 117.153 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.7 p -138.25 149.06 45.38 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 117.664 0.732 . . . . 25.0 112.261 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.96 111.86 21.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.545 1.164 . . . . 50.0 108.222 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -88.35 171.28 10.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.413 -1.267 . . . . 50.0 108.234 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.38 -49.81 83.27 Favored Pre-proline 0 CA--C 1.554 1.103 0 N-CA-C 114.682 1.364 . . . . 50.0 114.682 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -64.13 -30.53 65.37 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 115.221 -2.72 . . . . 50.0 115.195 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.21 -29.09 60.2 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.711 -0.618 . . . . 50.0 109.689 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.9 -35.92 72.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.09 -38.52 90.99 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.4 m -66.08 -37.52 85.99 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.664 0.745 . . . . 25.0 110.697 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.8 ttp -64.58 -37.81 88.86 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 121.678 -0.639 . . . . 50.0 110.27 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.0 mtm -75.54 -34.63 60.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.683 -0.488 . . . . 50.0 109.683 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.53 93.52 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 122.802 0.441 . . . . 25.0 111.43 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -71.99 -10.77 60.25 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.597 -0.689 . . . . 50.0 112.662 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -94.03 -36.4 12.15 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 122.095 -0.378 . . . . 50.0 110.934 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.8 mmt -102.62 14.58 31.59 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.739 0.65 . . . . 50.0 110.793 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt 45.05 46.03 9.2 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.427 1.491 . . . . 50.0 114.414 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -86.6 56.31 3.95 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 170.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -132.75 -161.14 1.11 Allowed 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 107.776 -1.194 . . . . 25.0 107.776 -168.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.69 160.49 7.28 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 122.031 0.92 . . . . 25.0 112.934 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.7 p -60.56 152.83 25.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.579 -1.191 . . . . 50.0 113.712 -172.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -61.7 -24.06 66.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.121 -0.945 . . . . 25.0 111.67 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.06 -36.37 77.2 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.1 -47.26 77.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.441 1.115 . . . . 25.0 109.554 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.77 -35.39 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.644 -0.873 . . . . 50.0 108.644 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -65.77 -22.37 66.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 118.454 -0.784 . . . . 50.0 111.613 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -67.92 -44.11 77.64 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.801 1.182 . . . . 50.0 108.42 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.38 76.73 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.893 0.854 . . . . 25.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -63.5 -39.05 93.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 50.0 109.7 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.1 mtm-85 -71.12 -11.46 60.96 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 114.125 1.158 . . . . 50.0 114.125 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.78 -36.78 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 106.922 -1.51 . . . . 50.0 106.922 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -93.43 -47.2 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.015 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -83.86 56.39 3.66 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 121.436 0.636 . . . . 50.0 110.536 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -65.33 -25.78 67.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.652 0.739 . . . . 50.0 110.628 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -75.89 -14.03 60.27 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.196 -0.911 . . . . 25.0 111.795 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.68 72.87 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 116.571 1.389 . . . . 25.0 116.571 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.58 -1.29 57.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.226 1.513 . . . . 50.0 114.108 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.54 3.74 64.47 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 114.594 0.598 . . . . 50.0 114.594 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.19 151.21 47.49 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 122.455 -0.438 . . . . 50.0 110.128 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -105.69 124.15 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 106.092 -1.818 . . . . 50.0 106.092 171.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.57 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 89.7 p -95.96 166.08 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 25.0 110.01 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.51 82.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.037 0.446 . . . . 25.0 110.582 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.57 ' H ' ' HG ' ' A' ' 101' ' ' SER . 64.4 mt-10 -68.85 -41.62 78.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 50.0 111.207 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.77 -51.02 70.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.54 -0.755 . . . . 50.0 109.157 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -60.3 -37.73 81.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.712 -0.676 . . . . 50.0 112.02 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.14 -45.0 93.96 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.948 -0.47 . . . . 50.0 111.56 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.88 -42.25 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-O 120.917 0.389 . . . . 50.0 110.275 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.9 mtp -66.25 -32.26 73.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 113.992 1.108 . . . . 50.0 113.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.6 m -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.189 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -70.97 -23.62 62.25 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.48 -16.89 60.26 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.065 0.546 . . . . 75.0 110.653 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.87 -9.79 60.22 Favored Glycine 0 C--O 1.246 0.889 0 CA-C-N 115.967 -0.56 . . . . 50.0 112.692 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.42 134.39 45.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.522 0.677 . . . . 50.0 110.295 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -109.18 67.2 0.65 Allowed 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.51 0.672 . . . . 50.0 110.195 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.69 155.52 40.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.13 -0.941 . . . . 50.0 109.886 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.0 p -88.64 176.34 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -32.09 71.27 Favored 'General case' 0 C--O 1.202 -1.409 0 C-N-CA 119.482 -0.887 . . . . 50.0 108.66 174.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.37 -41.48 98.81 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 115.799 -0.637 . . . . 75.0 111.478 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -62.96 -33.73 76.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.18 0.514 . . . . 50.0 110.762 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -78.88 -38.87 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.722 -0.473 . . . . 50.0 109.722 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.91 -44.18 94.44 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.517 -0.549 . . . . 50.0 109.517 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.54 -49.78 76.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.139 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.5 mtm -59.31 -34.74 72.69 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.213 0.82 . . . . 75.0 113.213 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -77.43 -45.27 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 119.416 -0.326 . . . . 50.0 111.554 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -65.93 -34.08 77.31 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 114.32 1.23 . . . . 50.0 114.32 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.51 -15.82 61.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.575 0.702 . . . . 50.0 110.459 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.3 -18.69 15.33 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.054 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -81.91 73.37 8.95 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -173.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.33 -45.26 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 112.732 0.641 . . . . 50.0 112.732 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -86.98 -3.95 59.13 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 114.526 1.306 . . . . 50.0 114.526 -174.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.41 15.51 81.44 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 116.688 1.435 . . . . 50.0 116.688 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.54 -1.2 49.9 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.594 1.197 . . . . 50.0 112.938 -177.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.85 3.29 85.84 Favored Glycine 0 C--O 1.24 0.531 0 C-N-CA 120.696 -0.764 . . . . 50.0 114.639 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -132.84 169.68 16.4 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.064 -1.087 . . . . 50.0 108.064 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.78 114.64 44.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 107.779 -1.193 . . . . 50.0 107.779 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.34 171.25 15.44 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.81 -1.552 . . . . 50.0 106.81 -175.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -60.28 -45.12 94.44 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.063 -1.023 . . . . 50.0 112.452 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.39 -36.83 85.43 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.413 0.625 . . . . 50.0 111.798 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.87 -35.36 76.81 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.84 -0.618 . . . . 50.0 109.803 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.19 -40.43 96.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.686 -0.487 . . . . 50.0 109.686 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -43.55 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -62.41 -45.72 91.83 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.046 -0.409 . . . . 50.0 111.595 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.78 -36.79 79.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.06 0.457 . . . . 50.0 109.905 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.9 ttp -81.45 -14.68 56.78 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.7 t -111.5 -7.51 14.32 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.34 149.86 31.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 174.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 C--O 1.248 1.003 0 N-CA-C 107.094 -1.447 . . . . 50.0 107.094 178.585 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.951 -0.389 . . . . 25.0 109.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -84.02 -26.21 29.31 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.366 0.266 . . . . 25.0 111.262 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -132.2 158.66 41.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.025 -0.731 . . . . 50.0 109.025 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.61 150.35 28.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.461 -0.57 . . . . 50.0 109.461 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.9 p -79.3 157.92 27.61 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.06 -27.14 67.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.524 0.678 . . . . 50.0 109.319 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -63.79 -44.56 92.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.782 -0.645 . . . . 50.0 110.351 175.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -65.11 -37.94 89.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.581 0.705 . . . . 75.0 110.759 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.22 -38.16 79.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 177.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.61 -40.77 76.41 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.881 -0.512 . . . . 25.0 111.265 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -60.5 -49.04 79.14 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.273 1.035 . . . . 50.0 109.964 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -72.48 -15.66 61.8 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.845 -0.616 . . . . 25.0 112.026 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -66.31 -40.08 89.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.752 -0.462 . . . . 50.0 109.752 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -68.74 -40.46 79.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.127 0.489 . . . . 50.0 109.825 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.92 85.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.019 0.438 . . . . 25.0 111.446 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.37 -44.45 78.94 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.635 -0.505 . . . . 50.0 109.635 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 t -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 50.0 110.684 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -26.61 68.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.529 -0.305 . . . . 50.0 111.152 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.95 -36.51 11.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 50.0 110.831 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -79.76 82.69 5.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.763 0.792 . . . . 50.0 110.55 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.03 -26.27 63.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.261 0.837 . . . . 75.0 113.261 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -96.1 -13.99 23.21 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.042 0.386 . . . . 75.0 112.042 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.25 81.23 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 116.902 1.521 . . . . 25.0 116.902 173.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.49 -5.96 55.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.395 1.257 . . . . 50.0 114.395 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.03 58.22 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 114.814 0.685 . . . . 50.0 114.814 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 p -133.9 160.26 38.2 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.526 0.663 . . . . 25.0 111.087 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.13 124.98 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.727 -1.583 . . . . 50.0 106.727 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.537 ' HG1' ' N ' ' A' ' 29' ' ' THR . 7.6 t -108.03 167.58 9.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' ' HG1' ' A' ' 28' ' ' THR . 0.1 OUTLIER -56.9 -36.4 70.1 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 122.096 -0.377 . . . . 25.0 111.555 -178.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.03 -44.78 83.24 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.367 0.604 . . . . 50.0 110.937 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.31 -44.29 62.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 50.0 111.301 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.11 -44.23 97.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.676 0.751 . . . . 50.0 110.02 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -34.2 85.8 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.667 -0.697 . . . . 50.0 113.323 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -63.79 -41.63 97.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.24 -45.9 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.776 -0.453 . . . . 50.0 109.776 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.9 mtt -61.12 -44.44 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.54 -19.43 60.34 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.801 -0.76 . . . . 50.0 112.159 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -71.58 -23.17 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.553 -0.906 . . . . 50.0 108.553 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -90.82 1.86 56.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.688 . . . . 50.0 111.105 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.28 -1.26 57.35 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 116.071 1.188 . . . . 50.0 116.071 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -74.63 160.44 30.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.126 0.963 . . . . 50.0 110.153 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -124.47 56.07 11.45 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 111.938 0.348 . . . . 50.0 111.938 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.9 162.79 26.37 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 116.367 -1.955 . . . . 50.0 114.899 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -95.62 162.86 13.45 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.7 -32.75 74.48 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.49 -0.756 . . . . 25.0 112.662 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.74 78.32 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.777 0.322 . . . . 25.0 110.792 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -63.59 -38.32 90.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.171 0.986 . . . . 50.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.8 mt -73.54 -31.34 63.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.597 -0.729 . . . . 50.0 110.25 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -70.61 -37.36 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.817 0.673 . . . . 50.0 112.817 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.49 -28.76 66.34 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 119.305 -0.958 . . . . 50.0 110.437 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -68.99 -27.84 66.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.018 -0.426 . . . . 50.0 110.891 175.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.5 mt -79.71 -47.19 22.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 109.168 -0.679 . . . . 50.0 109.168 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.25 -31.88 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 122.518 0.327 . . . . 50.0 110.819 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.92 -20.17 61.68 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.376 1.25 . . . . 50.0 114.376 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -9.18 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 111.964 0.357 . . . . 50.0 111.964 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -84.58 55.07 3.25 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.718 0.807 . . . . 50.0 111.523 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -15.98 63.24 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.212 0.53 . . . . 25.0 112.202 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -83.56 -19.39 35.68 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.74 0.816 . . . . 50.0 112.063 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.39 17.44 73.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.469 1.348 . . . . 50.0 116.469 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.01 -6.22 55.82 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.1 1.519 . . . . 50.0 115.1 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.04 4.56 86.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 117.552 1.781 . . . . 50.0 117.552 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -137.52 158.99 43.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.218 1.009 . . . . 25.0 110.547 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.7 mt -88.59 116.33 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.71 172.12 11.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.851 -0.796 . . . . 50.0 108.851 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.05 -48.84 96.37 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 114.535 1.309 . . . . 50.0 114.535 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.99 -28.11 49.97 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.285 -3.344 . . . . 50.0 113.656 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.05 -32.63 65.18 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -67.11 -39.89 86.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 50.0 109.012 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.33 -39.26 93.54 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 109.265 -0.643 . . . . 50.0 109.265 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.37 -39.25 92.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.876 0.369 . . . . 25.0 110.505 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttt -63.94 -40.67 96.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.405 0.621 . . . . 50.0 110.409 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.5 mmt -73.76 -28.2 61.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.954 -0.466 . . . . 50.0 111.056 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.38 67.25 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.77 0.319 . . . . 25.0 110.38 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -64.53 -24.59 67.65 Favored 'General case' 0 C--O 1.208 -1.125 0 O-C-N 121.841 -0.537 . . . . 50.0 111.381 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -84.98 -27.67 26.31 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 117.962 0.346 . . . . 50.0 111.213 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.3 mtt -65.97 -26.54 67.61 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 111.821 0.304 . . . . 50.0 111.821 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -89.27 -2.98 58.68 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 111.847 0.314 . . . . 50.0 111.847 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -103.74 12.67 34.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 -175.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 t -149.27 156.68 42.49 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 106.244 -1.761 . . . . 25.0 106.244 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.89 129.63 40.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 176.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.1 p -83.63 163.94 20.02 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.943 -0.762 . . . . 50.0 108.943 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.14 -33.73 73.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.513 -0.742 . . . . 25.0 110.516 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -72.47 -31.63 65.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.781 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -70.83 -39.33 73.07 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.114 -0.494 . . . . 25.0 110.528 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.449 HG23 ' HH ' ' A' ' 138' ' ' TYR . 86.8 mt -64.17 -37.91 81.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.8 -0.815 . . . . 50.0 108.8 175.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -63.2 -41.45 99.17 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.608 -0.683 . . . . 50.0 110.519 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.324 -0.235 . . . . 50.0 111.487 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.32 85.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.94 0.4 . . . . 25.0 110.717 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -63.21 -40.25 96.95 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.4 -14.96 63.37 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.077 1.14 . . . . 50.0 114.077 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.25 -40.7 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.136 -1.431 . . . . 50.0 107.136 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -94.76 -40.21 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -81.49 73.64 8.52 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.851 0.834 . . . . 50.0 109.589 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -74.99 -29.66 60.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 114.202 1.186 . . . . 50.0 114.202 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -85.21 -10.39 56.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.66 0.267 . . . . 25.0 110.591 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.35 75.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -81.61 0.69 37.25 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.185 0.993 . . . . 50.0 113.357 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.48 2.57 72.98 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 115.003 0.761 . . . . 50.0 115.003 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -140.79 157.82 44.85 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 117.032 0.416 . . . . 50.0 110.294 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 mt -119.56 107.3 20.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.148 -1.427 . . . . 50.0 107.148 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.439 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 96.1 p -83.77 166.13 18.27 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.886 -0.509 . . . . 50.0 110.682 -177.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.98 90.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.064 0.459 . . . . 25.0 111.379 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.37 77.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.34 0.59 . . . . 25.0 110.758 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.439 ' H ' ' HG ' ' A' ' 101' ' ' SER . 67.8 tt0 -72.11 -40.66 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.913 -0.585 . . . . 50.0 110.774 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.1 tp -65.62 -41.97 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 50.0 109.505 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -37.91 74.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.689 . . . . 50.0 110.673 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -60.32 -43.9 95.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 50.0 110.671 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.05 -48.09 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.16 0.505 . . . . 50.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.6 mtt -65.12 -39.52 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.907 0.706 . . . . 50.0 112.907 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.4 m -63.61 -38.47 91.24 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -72.15 -23.91 61.37 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 120.848 -0.341 . . . . 25.0 111.278 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.75 -11.09 59.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.001 0.429 . . . . 75.0 109.957 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.46 8.6 65.84 Favored Glycine 0 C--O 1.241 0.566 0 CA-C-N 116.133 -0.485 . . . . 50.0 112.819 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.31 123.91 24.0 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -92.88 53.68 2.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.382 0.61 . . . . 50.0 110.807 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.0 mt -81.81 162.82 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.699 -1.137 . . . . 50.0 108.7 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.7 p -94.51 169.56 10.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -70.47 -29.07 65.52 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.547 -0.538 . . . . 50.0 109.547 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.85 -35.68 78.99 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 116.039 -0.528 . . . . 75.0 111.529 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.65 -38.17 90.11 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.579 0.704 . . . . 50.0 109.714 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.18 -39.76 65.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 N-CA-C 108.895 -0.779 . . . . 50.0 108.895 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -60.69 -44.44 96.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.271 0.558 . . . . 50.0 110.258 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.91 -43.56 98.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.787 177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.7 mtm -65.79 -34.79 78.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.151 0.797 . . . . 75.0 113.151 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.1 mm -71.84 -39.11 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.699 -0.482 . . . . 50.0 109.699 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 mtm105 -62.87 -26.19 68.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.574 1.324 . . . . 50.0 114.574 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -69.03 -17.16 63.86 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 121.022 0.439 . . . . 50.0 111.214 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.94 -12.94 11.96 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.07 75.47 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.576 0.703 . . . . 50.0 112.097 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.59 -43.63 98.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.486 -0.779 . . . . 50.0 112.347 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -86.61 -4.18 59.14 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.39 1.255 . . . . 50.0 114.39 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.52 20.25 79.62 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 116.82 1.488 . . . . 50.0 116.82 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -0.74 56.09 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.478 1.288 . . . . 50.0 114.478 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.47 8.42 80.8 Favored Glycine 0 C--O 1.242 0.6 0 C-N-CA 121.172 -0.537 . . . . 50.0 113.639 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.45 168.53 19.46 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.204 -0.586 . . . . 50.0 109.924 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.0 t -100.62 120.69 50.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -80.52 171.13 15.44 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.565 -1.643 . . . . 50.0 106.565 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.449 ' HH ' HG23 ' A' ' 85' ' ' ILE . 41.1 t80 -59.59 -48.68 80.69 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.056 0.761 . . . . 50.0 113.056 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.08 -35.22 77.82 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.146 -0.971 . . . . 50.0 111.544 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.54 -32.87 74.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.385 -0.825 . . . . 50.0 109.699 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.99 -34.78 77.19 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.97 -0.456 . . . . 50.0 111.015 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.83 -39.97 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.396 -0.964 . . . . 50.0 108.396 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -63.88 -40.22 96.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.895 -0.503 . . . . 50.0 110.71 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.8 ttt -66.02 -21.62 66.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.375 0.607 . . . . 50.0 111.732 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.9 ttm -76.16 -22.21 55.66 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.918 -0.489 . . . . 25.0 111.504 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t -115.25 -3.99 12.46 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.22 146.43 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.044 0.45 . . . . 25.0 110.894 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.9 tttt . . . . . 0 C--O 1.255 1.382 0 N-CA-C 101.181 -3.637 . . . . 50.0 101.181 174.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.673 -0.491 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -65.67 -28.36 69.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.481 0.658 . . . . 25.0 111.533 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -137.26 163.48 30.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.573 -0.739 . . . . 50.0 109.517 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.29 162.48 27.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.882 -1.054 . . . . 50.0 110.58 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.7 p -95.64 145.88 24.91 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.1 -31.77 72.83 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.147 0.425 . . . . 50.0 112.147 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -65.07 -40.91 95.34 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.161 0.505 . . . . 50.0 111.271 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -65.39 -39.21 91.94 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 121.153 0.501 . . . . 75.0 110.494 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.26 -38.82 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 121.834 -0.541 . . . . 50.0 109.65 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.53 78.33 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.947 -0.471 . . . . 25.0 110.424 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.33 -46.66 83.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.552 1.168 . . . . 50.0 111.096 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -69.95 -25.83 63.83 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.571 -0.706 . . . . 25.0 112.258 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -70.5 -41.85 72.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.105 -0.331 . . . . 50.0 110.105 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -71.86 -34.4 69.19 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.473 -0.491 . . . . 50.0 110.322 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.24 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.129 -0.357 . . . . 25.0 110.525 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -67.2 -42.42 84.16 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.207 -0.308 . . . . 50.0 110.264 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -60.91 -33.87 73.8 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.662 0.744 . . . . 50.0 112.143 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.29 -37.98 85.15 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 122.276 1.036 . . . . 50.0 111.774 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -78.99 -36.75 40.8 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.018 -0.992 . . . . 50.0 111.727 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -77.21 102.39 6.62 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.394 0.616 . . . . 50.0 110.685 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -69.69 -23.38 63.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.608 0.966 . . . . 75.0 113.608 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -88.85 -28.11 20.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 75.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.22 16.22 80.71 Favored Glycine 0 C--O 1.224 -0.503 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.58 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.15 -13.77 49.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.898 1.073 . . . . 50.0 113.898 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.92 -0.45 28.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 114.719 0.648 . . . . 50.0 114.719 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -132.19 145.15 51.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.662 0.731 . . . . 25.0 111.572 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -108.44 120.77 60.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.421 -0.955 . . . . 50.0 108.421 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -91.14 166.25 13.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 t -62.16 -27.71 69.14 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.563 0.696 . . . . 25.0 111.038 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.52 -44.79 73.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.534 0.683 . . . . 50.0 109.927 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.11 -42.27 80.5 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.599 -0.728 . . . . 50.0 111.526 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.01 -44.83 91.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -38.09 95.64 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-N 115.91 -0.586 . . . . 50.0 113.02 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 m -64.69 -41.59 95.92 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.826 -0.808 . . . . 25.0 110.229 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.17 -45.33 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 121.679 -0.638 . . . . 50.0 109.453 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.74 -42.35 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.018 0.377 . . . . 50.0 112.018 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -72.48 -25.95 61.62 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.779 0.659 . . . . 50.0 112.779 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -71.06 -26.9 63.28 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.801 -0.444 . . . . 50.0 109.801 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.86 3.62 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 50.0 110.633 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.35 8.54 81.02 Favored Glycine 0 C--O 1.222 -0.652 0 N-CA-C 114.632 0.613 . . . . 50.0 114.632 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -100.07 138.5 37.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.184 0.492 . . . . 50.0 109.689 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -119.44 59.83 5.35 Favored Pre-proline 0 CA--C 1.556 1.192 0 N-CA-C 114.225 1.194 . . . . 50.0 114.225 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -68.19 166.66 24.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 N-CA-C 114.936 1.091 . . . . 50.0 114.936 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.5 p -83.13 167.11 18.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.335 -0.616 . . . . 25.0 109.335 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -68.68 -32.28 71.98 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.564 -0.71 . . . . 25.0 111.085 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.43 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 25.0 110.409 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -67.18 -39.77 86.47 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.558 0.694 . . . . 50.0 109.571 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.1 mt -68.98 -25.72 64.67 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.063 -0.398 . . . . 50.0 110.841 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -76.07 -38.2 57.33 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 117.977 -1.011 . . . . 50.0 112.294 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.73 -27.93 68.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.652 1.115 . . . . 50.0 111.561 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 55.3 mtt -66.49 -27.03 67.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.173 0.511 . . . . 50.0 111.479 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.3 mt -87.19 -45.74 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 109.079 -0.711 . . . . 50.0 109.079 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.41 -32.61 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 123.456 0.702 . . . . 50.0 111.398 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.6 -20.82 22.93 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.002 1.112 . . . . 50.0 114.002 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.69 -22.53 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.449 0.907 . . . . 50.0 113.449 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -80.58 44.43 0.72 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.09 -14.18 62.86 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.163 0.506 . . . . 25.0 109.689 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -77.86 -18.41 56.26 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.81 -0.632 . . . . 50.0 111.582 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.44 4.16 89.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 119.638 2.615 . . . . 50.0 119.638 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -79.24 -1.26 35.67 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.744 1.772 . . . . 50.0 114.318 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.88 -3.01 85.38 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.943 1.537 . . . . 50.0 116.943 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.3 p -137.03 171.25 14.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 117.227 0.513 . . . . 25.0 111.522 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.3 mt -105.44 109.9 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.233 -1.766 . . . . 50.0 106.233 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.24 169.02 12.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.459 -1.312 . . . . 50.0 107.459 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.78 -49.7 90.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 N-CA-C 115.61 1.707 . . . . 50.0 115.61 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.39 -18.72 38.58 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 114.274 -3.351 . . . . 50.0 113.398 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -80.79 -22.71 39.84 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.699 -0.626 . . . . 50.0 111.238 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.74 -37.45 82.19 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.509 -1.663 . . . . 50.0 106.509 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.96 -37.81 84.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.768 -0.651 . . . . 50.0 110.046 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -64.26 -38.24 90.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.827 -0.546 . . . . 25.0 111.3 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.4 ttm -59.63 -44.09 93.61 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.78 -40.25 88.12 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.912 -0.403 . . . . 50.0 109.912 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.12 85.24 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.729 -0.607 . . . . 25.0 111.61 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -69.47 -13.05 62.14 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -106.16 -24.49 12.32 Favored 'General case' 0 C--O 1.209 -1.042 0 N-CA-C 112.915 0.709 . . . . 50.0 112.915 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.9 mmt -100.17 -4.64 29.15 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.745 -0.661 . . . . 50.0 112.367 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -71.14 153.56 42.42 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.921 0.391 . . . . 50.0 110.453 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -69.1 153.51 43.62 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 105.553 -2.017 . . . . 50.0 105.553 169.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -129.93 153.19 48.59 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.193 -1.039 . . . . 25.0 108.193 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -93.75 -142.3 0.23 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.0 p -64.11 -4.09 3.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.757 1.021 . . . . 50.0 113.757 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.92 -19.1 65.67 Favored 'General case' 0 C--O 1.21 -1.001 0 O-C-N 121.228 -0.92 . . . . 25.0 111.16 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -63.99 -42.56 97.15 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.76 -40.53 88.28 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.729 0.775 . . . . 25.0 109.291 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.3 mt -64.42 -38.16 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.955 -0.566 . . . . 50.0 110.085 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -67.97 -36.45 80.07 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.696 -0.627 . . . . 50.0 111.926 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.43 -46.04 90.36 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.56 -0.533 . . . . 50.0 109.56 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.04 -34.78 78.31 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.492 0.495 . . . . 25.0 111.608 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.36 -41.11 93.01 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.71 -0.478 . . . . 50.0 109.71 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -70.06 -15.59 63.02 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.13 1.159 . . . . 50.0 114.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.26 -35.52 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 175.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -88.33 -43.0 11.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 25.0 111.07 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -83.94 80.17 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.862 0.839 . . . . 50.0 110.551 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.79 -15.89 60.73 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.926 -1.034 . . . . 50.0 112.586 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -75.24 -27.01 59.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.276 0.56 . . . . 25.0 109.838 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.35 27.93 66.94 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.585 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -105.84 5.7 30.96 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.956 1.836 . . . . 50.0 115.956 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 5.11 75.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 115.397 0.919 . . . . 50.0 115.397 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -134.96 133.46 39.54 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.771 -0.455 . . . . 50.0 109.771 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.4 mt -100.09 113.87 36.9 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 106.828 -1.545 . . . . 50.0 106.828 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.9 p -78.47 160.58 27.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.893 -0.723 . . . . 50.0 109.967 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.83 76.54 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.91 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.241 0.544 . . . . 25.0 110.944 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -64.51 -46.59 82.29 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.799 -0.445 . . . . 50.0 109.799 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -43.79 92.56 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.006 0.431 . . . . 50.0 111.418 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.28 -37.12 82.02 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.815 -0.553 . . . . 50.0 110.627 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -65.7 -38.14 88.38 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.357 -0.537 . . . . 50.0 110.7 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.89 -43.31 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.026 -0.731 . . . . 50.0 109.026 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.1 mtp -62.83 -40.92 98.9 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.76 0.314 . . . . 50.0 111.292 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.5 m -61.53 -39.83 92.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.368 0.604 . . . . 25.0 110.025 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -73.82 -23.15 59.62 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.68 -13.43 60.62 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 121.504 0.669 . . . . 75.0 109.468 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.67 32.23 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.853 -0.612 . . . . 50.0 113.079 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.26 118.64 28.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.303 1.049 . . . . 50.0 112.592 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -95.85 61.73 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 114.114 1.153 . . . . 50.0 114.114 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.79 155.58 40.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 105.434 -2.061 . . . . 50.0 105.434 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -84.84 166.69 16.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 106.556 -1.646 . . . . 25.0 106.556 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.96 -36.13 82.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.816 -0.354 . . . . 50.0 110.066 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -67.61 -37.07 82.01 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 112.729 0.64 . . . . 75.0 112.729 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.21 -38.31 90.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.427 0.632 . . . . 50.0 109.842 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.07 -35.89 55.11 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-N 115.479 -0.782 . . . . 50.0 111.483 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.58 -41.99 87.01 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.767 -0.457 . . . . 50.0 109.767 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -60.96 -38.85 87.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 120.846 -0.342 . . . . 25.0 111.722 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.38 -34.17 74.13 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.796 0.665 . . . . 75.0 112.796 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.0 mm -72.22 -37.46 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.976 -0.75 . . . . 50.0 108.976 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -59.08 -26.08 64.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.226 1.195 . . . . 50.0 114.226 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -70.53 -15.95 62.83 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.169 0.509 . . . . 50.0 111.024 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -116.72 -26.5 6.96 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -77.99 90.13 4.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.735 0.643 . . . . 50.0 112.735 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.71 -44.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 122.982 0.513 . . . . 50.0 111.829 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -84.13 -9.99 58.14 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.971 1.1 . . . . 50.0 113.971 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.74 22.09 77.6 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.438 -0.646 . . . . 50.0 114.575 174.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -83.63 -0.49 50.81 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.74 11.1 80.21 Favored Glycine 0 C--O 1.249 1.033 0 N-CA-C 112.04 -0.424 . . . . 50.0 112.04 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.95 163.41 30.34 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.657 0.742 . . . . 50.0 111.126 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.47 113.87 44.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 106.323 -1.732 . . . . 50.0 106.323 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -75.26 167.46 21.87 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.37 -2.455 . . . . 50.0 104.37 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -59.23 -43.87 92.35 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.477 -1.389 . . . . 50.0 112.828 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.5 -39.04 91.4 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.717 -0.615 . . . . 50.0 112.587 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.78 -33.93 76.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.608 -0.723 . . . . 50.0 110.783 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -68.91 -39.02 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.165 0.507 . . . . 50.0 110.997 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.31 -42.87 97.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.923 -1.14 . . . . 50.0 107.923 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -61.1 -43.62 98.6 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 122.139 -0.35 . . . . 50.0 111.013 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.98 -41.42 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.16 0.505 . . . . 50.0 111.206 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.7 ptm -93.67 4.22 54.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.47 1.285 . . . . 25.0 114.47 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.4 t -109.77 -5.59 15.53 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.838 -0.538 . . . . 25.0 111.115 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.08 74.46 6.86 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 175.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.7 pttt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 116.783 -1.579 . . . . 50.0 108.001 -173.814 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 118.601 -0.714 . . . . 25.0 109.095 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -67.1 150.53 49.05 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.928 0.768 . . . . 25.0 110.742 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.79 175.06 13.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -159.76 -54.44 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.734 0.778 . . . . 50.0 111.07 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -44.4 97.36 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.091 0.774 . . . . 25.0 113.091 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.52 -18.33 65.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.553 0.945 . . . . 50.0 113.553 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -65.22 -48.66 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -67.94 -34.06 75.87 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 120.923 0.392 . . . . 75.0 110.52 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.7 -40.56 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 107.996 -1.112 . . . . 50.0 107.996 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.75 83.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.038 0.381 . . . . 25.0 110.717 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.72 -47.93 83.7 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.618 0.723 . . . . 50.0 110.827 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -72.43 -21.07 61.31 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.425 -0.797 . . . . 25.0 111.729 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.68 -37.7 73.67 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.809 -0.557 . . . . 50.0 110.474 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.64 -42.82 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.61 -0.885 . . . . 50.0 108.61 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.59 76.41 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.178 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -67.73 -45.09 76.02 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -63.26 -29.94 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.811 0.815 . . . . 50.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -21.92 65.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.814 -0.63 . . . . 50.0 111.827 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -102.79 -39.52 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.546 0.338 . . . . 50.0 111.203 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.83 82.17 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.02 0.914 . . . . 50.0 110.855 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.08 -21.66 62.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.892 1.071 . . . . 75.0 113.892 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.22 -14.01 19.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.795 0.665 . . . . 75.0 112.795 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.08 82.73 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.6 -2.68 43.66 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.314 1.227 . . . . 50.0 114.314 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.05 4.84 66.52 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-O 119.588 -0.562 . . . . 50.0 114.165 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -130.87 155.93 45.91 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 117.66 0.73 . . . . 25.0 111.321 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.18 125.04 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.959 -1.867 . . . . 50.0 105.959 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -113.07 169.93 8.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -62.01 -28.03 69.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.818 -0.551 . . . . 25.0 112.451 -175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.98 -39.05 87.08 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.634 -0.666 . . . . 50.0 110.725 174.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -72.22 -36.81 69.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.502 -0.555 . . . . 50.0 109.502 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.35 -0.982 . . . . 50.0 108.35 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.02 87.99 Favored Glycine 0 C--O 1.221 -0.659 0 CA-C-N 115.811 -0.631 . . . . 50.0 113.248 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.6 m -63.81 -43.97 94.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.13 -41.01 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.163 -0.336 . . . . 50.0 110.42 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.4 mmt -60.91 -41.11 95.47 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.838 -0.539 . . . . 50.0 111.754 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -67.49 -32.42 73.23 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.95 -0.469 . . . . 50.0 110.973 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -67.37 -31.02 70.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.867 0.365 . . . . 50.0 110.033 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.49 5.65 19.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.176 -0.465 . . . . 50.0 111.153 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.33 90.2 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 114.138 0.415 . . . . 50.0 114.138 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -86.73 149.68 24.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.267 0.534 . . . . 50.0 110.869 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -123.45 54.33 6.9 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 114.474 1.287 . . . . 50.0 114.474 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.89 163.57 38.0 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 117.824 -0.984 . . . . 50.0 113.501 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -81.65 165.14 21.3 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.422 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.11 -27.97 66.06 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.164 -0.96 . . . . 25.0 112.807 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.65 69.59 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.546 0.689 . . . . 25.0 109.147 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.42 -40.08 89.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.197 -0.911 . . . . 50.0 109.019 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.7 mt -67.71 -23.5 65.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 50.0 111.548 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -79.44 -40.5 29.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.168 -0.444 . . . . 50.0 111.707 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -69.92 -26.07 63.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.932 0.787 . . . . 50.0 111.837 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.1 mtt -60.24 -32.4 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.999 0.428 . . . . 50.0 110.381 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mt -83.63 -44.14 18.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 CA-C-O 119.126 -0.464 . . . . 50.0 110.12 177.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.36 -32.42 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 118.2 0.454 . . . . 50.0 112.157 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.66 -17.17 59.99 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.636 0.976 . . . . 50.0 113.636 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.18 -34.51 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.738 0.78 . . . . 50.0 109.602 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.12 59.04 2.62 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.098 1.359 . . . . 50.0 112.416 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.49 61.32 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.319 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.23 -17.42 46.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.824 -0.626 . . . . 50.0 111.623 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 5.89 89.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 117.598 1.799 . . . . 50.0 117.598 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -3.67 58.53 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.32 1.56 . . . . 50.0 114.724 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.34 2.56 90.62 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.204 2.041 . . . . 50.0 118.204 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -137.29 146.51 44.76 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.123 0.961 . . . . 25.0 111.326 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.5 123.16 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.193 -1.41 . . . . 50.0 107.193 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -105.47 -178.2 3.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.109 -1.071 . . . . 50.0 108.109 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.75 -47.32 97.72 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 115.953 1.835 . . . . 50.0 115.953 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -66.82 -27.34 44.06 Favored 'Trans proline' 0 C--N 1.356 0.925 1 C-N-CA 113.179 -4.081 . . . . 50.0 114.785 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -75.93 -27.27 57.53 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.17 -0.957 . . . . 50.0 110.816 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.84 -37.82 85.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.322 -0.992 . . . . 50.0 108.322 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -40.36 96.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 50.0 109.805 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.3 m -65.97 -38.65 89.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.5 . . . . 25.0 110.825 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.7 ttp -61.87 -32.85 73.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.992 0.517 . . . . 50.0 110.98 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mmt -83.79 -33.17 25.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.481 -0.327 . . . . 50.0 111.04 176.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.67 -28.1 69.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.943 -0.473 . . . . 25.0 111.806 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -82.54 -3.01 55.29 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.275 -0.891 . . . . 50.0 112.213 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -108.56 0.04 20.59 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 112.005 0.372 . . . . 50.0 112.005 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.0 ptm -85.02 -0.04 53.09 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.249 0.547 . . . . 50.0 110.222 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -84.54 157.72 21.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.686 -0.688 . . . . 50.0 109.179 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 60.16 -154.92 0.36 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.549 1.314 . . . . 50.0 114.549 171.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -158.52 -177.56 6.63 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 104.66 -2.348 . . . . 25.0 104.66 -169.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 65.94 22.63 11.3 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.612 1.165 . . . . 25.0 112.929 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.3 p -74.99 158.28 33.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -57.27 -39.12 75.03 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 122.027 -0.42 . . . . 25.0 111.808 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.76 -35.23 79.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.716 0.293 . . . . 25.0 110.484 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.5 -39.57 74.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.874 -0.517 . . . . 25.0 109.892 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.56 -37.7 80.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.39 -44.09 95.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.909 -0.495 . . . . 50.0 110.152 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.639 -0.424 . . . . 50.0 111.507 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.05 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.816 0.341 . . . . 25.0 110.329 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.78 -40.46 97.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 50.0 110.113 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.51 -18.48 65.06 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.087 0.773 . . . . 50.0 113.087 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.55 -35.66 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.404 -0.961 . . . . 50.0 108.404 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -92.97 -44.42 8.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -82.82 82.97 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 50.0 110.673 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -68.79 -24.14 64.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 50.0 112.115 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -73.41 -26.89 61.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.209 0.528 . . . . 25.0 110.215 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 21.83 77.68 Favored Glycine 0 C--O 1.223 -0.579 0 N-CA-C 111.64 -0.584 . . . . 25.0 111.64 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -93.53 2.71 56.33 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.224 1.194 . . . . 50.0 114.224 -173.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 8.26 64.08 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 114.48 0.552 . . . . 50.0 114.48 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.91 137.98 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.253 -0.277 . . . . 50.0 110.253 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.22 116.72 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.708 -1.59 . . . . 50.0 106.708 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -88.4 165.27 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.168 -0.679 . . . . 50.0 109.168 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.89 80.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.993 0.425 . . . . 25.0 110.33 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.71 98.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 25.0 110.892 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.91 -43.36 83.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.597 -0.274 . . . . 50.0 110.716 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.95 -42.79 99.92 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.292 -0.633 . . . . 50.0 109.292 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 50.0 111.466 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.86 -46.92 85.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.521 -0.548 . . . . 50.0 109.521 176.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.42 -39.47 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 122.307 -0.245 . . . . 50.0 110.61 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -38.89 89.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.601 0.715 . . . . 50.0 111.475 176.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 m -66.88 -35.59 80.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.19 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -70.28 -29.41 66.16 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.094 -0.379 . . . . 25.0 110.989 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.65 -19.97 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.09 0.471 . . . . 75.0 110.009 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.47 6.04 61.39 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-N 116.168 -0.469 . . . . 50.0 112.169 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -69.8 148.91 48.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.117 0.484 . . . . 50.0 109.904 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -120.07 36.29 4.58 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.922 0.868 . . . . 50.0 110.93 -172.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.56 163.24 27.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 113.907 -1.497 . . . . 50.0 108.051 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.5 p -91.65 171.88 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -66.41 -33.57 76.0 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.351 -0.611 . . . . 50.0 109.351 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.148 0.579 . . . . 75.0 111.447 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -65.24 -36.66 84.83 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.567 0.698 . . . . 50.0 109.519 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.37 -38.36 40.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.99 -39.97 94.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.495 0.664 . . . . 50.0 110.325 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 110.573 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.9 mtm -64.08 -31.99 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.096 -0.378 . . . . 75.0 111.757 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.09 -40.25 78.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.76 -35.73 73.23 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.213 0.82 . . . . 50.0 113.213 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.72 -18.66 62.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 111.736 0.272 . . . . 50.0 111.736 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.03 -22.62 13.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.852 0.358 . . . . 25.0 111.811 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -83.28 79.31 9.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.075 0.94 . . . . 50.0 112.049 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.42 -40.76 89.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.996 -1.002 . . . . 50.0 110.953 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -81.82 -14.79 55.86 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.216 1.191 . . . . 50.0 114.216 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.67 18.12 71.38 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 117.651 1.82 . . . . 50.0 117.651 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.09 -1.14 56.52 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.188 1.494 . . . . 50.0 114.291 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.19 6.26 71.68 Favored Glycine 0 N--CA 1.461 0.336 0 C-N-CA 121.416 -0.421 . . . . 50.0 113.69 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.65 167.14 22.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.416 0.627 . . . . 50.0 110.26 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.21 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.283 -1.377 . . . . 50.0 107.283 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.95 170.56 16.49 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.283 -1.747 . . . . 50.0 106.283 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.64 -43.24 97.8 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.145 0.794 . . . . 50.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.44 -35.49 81.08 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.515 -0.74 . . . . 50.0 111.311 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.23 -30.01 66.97 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.645 -0.707 . . . . 50.0 110.76 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -66.53 -36.41 82.61 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.913 -0.403 . . . . 50.0 109.913 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.4 t -66.41 -40.67 87.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 108.528 -0.916 . . . . 50.0 108.528 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -62.67 -41.81 99.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.76 0.314 . . . . 50.0 110.508 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.46 -37.75 88.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 50.0 110.5 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.1 ttm -69.06 -41.4 77.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.145 0.424 . . . . 25.0 112.145 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.8 t -83.26 -10.19 58.69 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.397 0.888 . . . . 25.0 113.397 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -147.79 57.06 1.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.685 0.624 . . . . 25.0 112.685 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 75.2 tttt . . . . . 0 C--O 1.253 1.274 0 CA-C-O 116.408 -1.758 . . . . 50.0 108.75 174.284 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 118.97 -0.538 . . . . 25.0 109.85 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 54.59 39.16 31.0 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.627 1.204 . . . . 25.0 114.188 170.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -103.79 158.29 16.49 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.196 -1.039 . . . . 50.0 108.196 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.6 157.19 30.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.587 -1.264 . . . . 50.0 107.587 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.3 p -60.38 143.32 53.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.47 -25.04 65.74 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.428 0.899 . . . . 50.0 113.428 -175.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.63 -41.41 96.18 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.302 -0.248 . . . . 50.0 110.628 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -67.11 -40.49 86.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.336 0.589 . . . . 75.0 110.088 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.33 -38.66 81.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 108.434 -0.95 . . . . 50.0 108.434 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.33 82.23 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 122.138 -0.351 . . . . 25.0 110.463 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.99 -48.49 79.85 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 122.078 0.942 . . . . 50.0 109.971 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.87 -30.56 69.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.047 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -69.1 -36.46 77.57 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 118.118 0.417 . . . . 50.0 110.301 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -68.72 -43.33 76.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.198 -0.667 . . . . 50.0 109.198 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.82 81.76 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.859 0.362 . . . . 25.0 110.519 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -69.53 -43.02 73.89 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 109.908 -0.404 . . . . 50.0 109.908 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -64.66 -31.11 72.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 50.0 111.256 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.21 -36.45 83.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.6 0.715 . . . . 50.0 109.118 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.92 -35.78 21.89 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.593 -0.73 . . . . 50.0 112.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.99 86.85 4.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.936 0.874 . . . . 50.0 110.426 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -69.0 -27.6 65.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.612 0.967 . . . . 75.0 113.612 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -100.3 -11.13 20.58 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.188 0.81 . . . . 75.0 113.188 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.49 12.59 83.6 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 117.073 1.589 . . . . 25.0 117.073 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -81.7 -0.87 44.75 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.652 1.352 . . . . 50.0 114.652 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 5.23 70.37 Favored Glycine 0 CA--C 1.517 0.176 0 N-CA-C 114.664 0.626 . . . . 50.0 114.664 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 p -133.03 159.18 40.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.327 0.584 . . . . 25.0 111.835 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.7 mm -109.5 130.28 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.281 -1.748 . . . . 50.0 106.281 173.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -111.44 166.11 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 p -60.44 -35.07 74.96 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.35 -44.32 92.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.825 0.821 . . . . 50.0 110.456 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.62 -36.82 70.88 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.612 -0.722 . . . . 50.0 111.275 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -42.0 97.81 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.871 -0.788 . . . . 50.0 108.871 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.67 93.63 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-N 115.826 -0.624 . . . . 50.0 111.841 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.4 m -61.16 -45.69 93.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.123 0.462 . . . . 25.0 109.975 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.95 -42.84 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 109.689 -0.486 . . . . 50.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.2 mmm -61.95 -39.37 91.87 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.76 -0.588 . . . . 50.0 111.405 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -72.03 -26.12 62.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.886 -0.509 . . . . 50.0 111.859 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -71.42 -29.04 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.622 -0.51 . . . . 50.0 109.622 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.73 -10.45 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.303 -0.408 . . . . 50.0 110.575 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 9.26 64.27 Favored Glycine 0 C--O 1.235 0.214 0 CA-C-N 116.352 -0.385 . . . . 50.0 113.769 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -76.52 165.14 25.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.36 0.58 . . . . 50.0 111.387 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -123.52 58.02 12.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 115.826 -0.624 . . . . 50.0 112.283 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.28 162.31 36.6 Favored 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 115.677 -2.415 . . . . 50.0 113.504 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.3 p -89.13 156.75 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.538 -2.023 . . . . 25.0 105.538 172.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.18 -20.01 63.15 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.475 -0.89 . . . . 25.0 110.081 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.0 80.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.032 -0.359 . . . . 25.0 110.032 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.35 -39.9 81.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.105 0.955 . . . . 50.0 109.097 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.62 -31.53 72.28 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.642 -0.662 . . . . 50.0 109.801 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -69.22 -44.15 72.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 118.904 -0.569 . . . . 50.0 110.702 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.82 -31.9 72.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.426 1.012 . . . . 50.0 110.187 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mtp -65.02 -27.92 69.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.026 0.38 . . . . 50.0 112.026 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -43.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.212 -0.292 . . . . 50.0 110.212 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.49 -26.57 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.279 0.632 . . . . 50.0 110.523 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.36 -29.5 34.71 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.965 0.728 . . . . 50.0 112.965 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 t -120.81 -30.29 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 112.065 0.394 . . . . 50.0 112.065 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -77.7 59.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.766 0.826 . . . . 50.0 113.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.16 66.57 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.052 -0.405 . . . . 25.0 111.218 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -78.35 -17.54 56.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.837 0.455 . . . . 50.0 111.137 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.56 78.87 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 116.422 1.329 . . . . 50.0 116.422 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.619 HD22 ' HG1' ' A' ' 62' ' ' THR . 0.8 OUTLIER -80.33 -4.38 53.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.789 1.295 . . . . 50.0 112.594 -178.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.6 1.15 81.07 Favored Glycine 0 C--O 1.236 0.263 0 N-CA-C 115.581 0.992 . . . . 50.0 115.581 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.619 ' HG1' HD22 ' A' ' 60' ' ' ASN . 39.7 p -133.8 160.35 37.87 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 117.839 0.82 . . . . 25.0 112.946 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.5 mt -109.28 104.48 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.429 -2.063 . . . . 50.0 105.429 172.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.22 170.28 16.89 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.006 -1.109 . . . . 50.0 108.006 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -50.81 -49.22 80.97 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 115.669 1.729 . . . . 50.0 115.669 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.82 -23.04 26.42 Favored 'Trans proline' 0 C--N 1.355 0.871 1 C-N-CA 112.731 -4.379 . . . . 50.0 113.636 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -74.99 -28.69 60.64 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.664 -0.865 . . . . 50.0 108.664 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -70.87 -36.28 72.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.032 -0.729 . . . . 50.0 109.032 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.35 -39.37 93.75 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.37 -40.69 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.158 0.504 . . . . 25.0 110.577 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 ttt -58.93 -39.52 81.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.185 0.517 . . . . 50.0 110.216 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.2 mmt -77.69 -33.47 53.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.199 0.444 . . . . 50.0 112.199 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.32 70.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.019 0.437 . . . . 25.0 111.058 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -63.3 -26.58 68.83 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.514 -0.741 . . . . 50.0 111.385 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -89.87 -14.1 35.03 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.119 -0.326 . . . . 50.0 110.119 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtt -93.08 20.89 6.31 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.245 -0.65 . . . . 50.0 109.245 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.4 137.72 58.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 105.179 -2.156 . . . . 50.0 105.179 173.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.5 t0 77.58 72.56 0.06 Allowed 'General case' 0 N--CA 1.48 1.056 0 O-C-N 125.686 1.866 . . . . 50.0 109.581 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.6 t -159.85 176.8 11.49 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 102.896 -3.001 . . . . 25.0 102.896 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -54.9 127.59 29.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.402 0.62 . . . . 25.0 111.597 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.6 p -156.82 -166.45 2.1 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.748 0.785 . . . . 50.0 111.891 -172.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.92 -15.71 63.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.369 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.01 -44.46 92.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.987 -0.445 . . . . 25.0 111.398 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -68.46 -32.4 72.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.287 0.565 . . . . 25.0 110.879 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.81 -37.43 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.541 -0.911 . . . . 50.0 108.541 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -65.76 -41.16 92.44 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.975 -0.453 . . . . 50.0 110.376 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.3 -48.06 79.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.945 -0.702 . . . . 50.0 110.145 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.05 79.33 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.17 0.509 . . . . 25.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -62.46 -45.71 91.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.465 -0.334 . . . . 50.0 110.36 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -72.25 -15.59 61.92 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 113.699 1.0 . . . . 50.0 113.699 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.64 -41.57 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.473 -1.306 . . . . 50.0 107.473 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.08 -45.73 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 25.0 110.455 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -85.82 58.34 4.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.076 0.941 . . . . 50.0 109.379 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.27 -24.49 67.89 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.838 1.422 . . . . 50.0 114.838 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -94.21 4.02 54.46 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.193 -0.317 . . . . 25.0 111.824 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.2 27.03 72.51 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 118.243 2.057 . . . . 25.0 118.243 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -65.65 -27.0 68.05 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.264 1.532 . . . . 50.0 112.679 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.81 5.0 64.87 Favored Glycine 0 C--N 1.32 -0.317 0 N-CA-C 109.018 -1.633 . . . . 50.0 109.018 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -144.99 145.76 31.65 Favored 'General case' 0 C--O 1.251 1.166 0 C-N-CA 123.67 0.788 . . . . 50.0 111.868 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.5 mt -106.93 118.8 55.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 N-CA-C 106.04 -1.837 . . . . 50.0 106.04 170.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -91.24 163.68 14.16 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.87 83.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 25.0 110.176 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.96 94.53 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.253 0.549 . . . . 25.0 110.938 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -73.07 -40.2 65.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.414 -0.357 . . . . 50.0 110.2 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.87 -44.56 96.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.357 -0.979 . . . . 50.0 108.357 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.04 -34.02 75.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.396 0.517 . . . . 50.0 112.396 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -62.83 -45.76 91.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.332 -0.618 . . . . 50.0 109.332 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.36 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.041 -0.527 . . . . 50.0 109.702 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.8 mtt -58.02 -42.61 85.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 50.0 111.61 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -62.11 -36.37 81.53 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.001 -0.437 . . . . 25.0 110.529 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -73.3 -26.54 61.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.729 0.299 . . . . 25.0 110.91 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.95 -17.41 59.75 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.024 0.44 . . . . 75.0 110.129 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.91 -2.74 55.58 Favored Glycine 0 C--O 1.238 0.396 0 CA-C-N 115.972 -0.558 . . . . 50.0 112.049 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.66 157.73 34.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -139.28 56.92 1.66 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.149 0.426 . . . . 50.0 112.149 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.94 159.25 34.56 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.486 -0.931 . . . . 50.0 108.486 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.1 p -89.39 168.58 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -64.21 -35.21 80.05 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.56 -35.13 76.98 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 112.435 0.532 . . . . 75.0 112.435 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.83 -40.59 83.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.29 -40.51 82.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.752 -0.833 . . . . 50.0 108.752 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.41 -43.85 96.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.783 0.325 . . . . 50.0 110.618 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -62.77 -43.96 97.44 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.048 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.2 mtp -64.45 -33.61 76.29 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.602 0.593 . . . . 75.0 112.602 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.02 -40.04 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.656 -0.498 . . . . 50.0 109.656 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -58.46 -35.09 71.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.999 1.111 . . . . 50.0 113.999 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.74 -19.68 65.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.646 0.26 . . . . 50.0 111.436 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.11 -19.88 13.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.86 0.362 . . . . 25.0 111.544 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -82.92 82.22 8.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.05 -43.88 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.453 -0.794 . . . . 50.0 112.06 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -87.62 -6.11 58.43 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.155 1.168 . . . . 50.0 114.155 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.17 78.97 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.909 1.124 . . . . 50.0 115.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.01 -0.59 55.9 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.566 1.321 . . . . 50.0 114.566 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 7.92 84.86 Favored Glycine 0 C--O 1.239 0.411 0 O-C-N 121.867 -0.521 . . . . 50.0 113.81 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -134.97 167.11 21.53 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.256 0.551 . . . . 50.0 110.204 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.11 116.96 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.066 -1.457 . . . . 50.0 107.066 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.76 167.07 21.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 105.158 -2.164 . . . . 50.0 105.158 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -60.14 -45.47 92.92 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 119.531 -0.868 . . . . 50.0 112.032 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -62.93 -38.68 91.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.529 0.681 . . . . 50.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -33.87 76.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.423 -0.808 . . . . 50.0 111.156 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -70.21 -36.1 74.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.129 -0.357 . . . . 50.0 110.378 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.99 -42.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.146 -1.057 . . . . 50.0 108.146 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -61.75 -45.6 93.23 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.09 -20.76 66.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.459 0.647 . . . . 50.0 111.572 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.2 ttm -83.19 -36.02 25.0 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.26 -0.9 . . . . 25.0 111.786 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 10.7 t -95.37 -17.15 21.82 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -135.7 150.79 49.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.645 0.26 . . . . 25.0 110.357 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.7 mptt . . . . . 0 C--O 1.258 1.549 0 N-CA-C 101.442 -3.54 . . . . 50.0 101.442 179.401 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 158.24 36.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.09 -2.189 . . . . 25.0 105.09 169.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -121.69 172.3 8.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.663 0.602 . . . . 50.0 109.734 -175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.23 126.49 28.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.011 0.91 . . . . 50.0 109.969 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -78.24 -25.4 46.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.849 -0.614 . . . . 25.0 109.386 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -62.35 -34.6 76.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.437 -0.347 . . . . 50.0 111.863 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -65.93 -45.61 81.21 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.024 -0.27 . . . . 50.0 110.57 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.5 -38.39 89.72 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 122.007 -0.433 . . . . 75.0 111.443 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.42 -41.54 92.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 N-CA-C 108.443 -0.947 . . . . 50.0 108.443 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.05 90.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.356 0.525 . . . . 25.0 111.215 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.06 -59.2 5.65 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.671 1.224 . . . . 50.0 110.813 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -75.48 -15.57 60.4 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.95 -1.023 . . . . 25.0 112.555 -172.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -65.79 -41.85 91.47 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.658 0.663 . . . . 50.0 109.892 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.33 -39.6 74.65 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.827 -0.749 . . . . 50.0 109.084 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.76 81.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.64 -44.8 89.31 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.859 -0.793 . . . . 50.0 108.859 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -64.05 -27.14 68.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 50.0 111.206 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.88 -32.03 63.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.628 -0.26 . . . . 50.0 110.819 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.49 -30.28 23.58 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.852 0.358 . . . . 50.0 111.325 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -83.6 92.36 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.676 0.75 . . . . 50.0 109.6 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -76.37 -24.52 54.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.722 1.008 . . . . 75.0 113.722 -170.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -108.09 -10.64 15.42 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.914 0.709 . . . . 75.0 112.914 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.04 22.54 65.54 Favored Glycine 0 C--O 1.225 -0.456 0 N-CA-C 115.746 1.058 . . . . 25.0 115.746 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.85 -7.82 59.63 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.72 1.007 . . . . 50.0 113.72 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.37 1.59 57.93 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 114.729 0.652 . . . . 50.0 114.729 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -131.95 161.05 34.05 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.946 0.873 . . . . 25.0 112.131 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mm -116.72 120.16 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 105.281 -2.118 . . . . 50.0 105.281 173.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.482 ' HG1' ' N ' ' A' ' 29' ' ' THR . 9.9 t -101.11 165.75 11.15 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.482 ' N ' ' HG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -54.6 -34.1 61.47 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.825 -0.547 . . . . 25.0 111.766 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -64.29 -39.4 93.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.01 -0.431 . . . . 50.0 111.368 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.48 -43.83 54.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.13 -44.63 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 50.0 110.641 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.2 83.38 Favored Glycine 0 C--O 1.225 -0.459 0 CA-C-N 115.683 -0.69 . . . . 50.0 112.861 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.9 m -66.68 -46.65 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.663 0.731 . . . . 25.0 109.826 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.81 -36.78 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.937 0.398 . . . . 50.0 110.152 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -66.51 -31.06 71.55 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.27 -0.894 . . . . 50.0 112.083 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -73.91 -23.53 59.57 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.167 -0.958 . . . . 50.0 111.111 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -21.7 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.789 0.328 . . . . 50.0 110.639 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -91.28 10.25 28.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.26 -0.427 . . . . 50.0 110.814 173.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.73 7.79 83.8 Favored Glycine 0 CA--C 1.517 0.163 0 N-CA-C 114.546 0.578 . . . . 50.0 114.546 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.76 143.11 30.2 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.272 -0.546 . . . . 50.0 110.095 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -124.79 52.91 6.65 Favored Pre-proline 0 CA--C 1.551 1.012 0 N-CA-C 113.722 1.008 . . . . 50.0 113.722 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.22 164.52 31.0 Favored 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 116.128 -2.115 . . . . 50.0 113.251 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.4 p -76.52 164.71 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.33 -22.87 62.76 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.048 -0.407 . . . . 25.0 110.925 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -42.9 71.69 Favored 'General case' 0 C--O 1.208 -1.117 0 N-CA-C 109.913 -0.402 . . . . 25.0 109.913 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.34 -39.82 94.66 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.282 -0.636 . . . . 50.0 109.282 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.41 -33.5 75.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.103 -0.373 . . . . 50.0 110.766 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.61 -42.89 70.35 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 110.303 -0.258 . . . . 50.0 110.303 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.19 -35.91 76.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 50.0 110.41 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.0 mtt -67.28 -25.77 66.21 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 111.985 0.365 . . . . 50.0 111.985 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -80.92 -47.08 20.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.703 -1.221 . . . . 50.0 107.703 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.87 -32.86 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 120.798 0.332 . . . . 50.0 110.392 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.02 -21.6 59.32 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.972 1.471 . . . . 50.0 114.972 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.55 -13.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.511 1.3 . . . . 50.0 114.511 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -77.73 65.51 3.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 50.0 112.954 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -24.34 67.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -89.47 -7.17 55.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.22 73.79 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 116.444 1.337 . . . . 50.0 116.444 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -2.13 50.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.632 1.216 . . . . 50.0 113.669 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.44 -1.6 86.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 115.579 0.992 . . . . 50.0 115.579 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.3 p -133.91 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.073 0.936 . . . . 25.0 111.048 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.8 mt -84.91 121.48 36.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.11 -1.811 . . . . 50.0 106.11 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 178.97 4.41 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.985 -1.117 . . . . 50.0 107.985 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.57 -55.54 22.07 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 115.935 1.828 . . . . 50.0 115.935 -171.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.24 -26.08 30.38 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 113.513 -3.858 . . . . 50.0 114.62 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.43 -33.24 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.956 -0.465 . . . . 50.0 109.924 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.7 -42.35 77.87 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.694 -0.484 . . . . 50.0 109.694 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.97 -42.64 94.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -64.35 -41.71 96.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.828 -0.169 . . . . 25.0 111.401 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.0 ttm -63.0 -42.05 99.75 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.825 -0.547 . . . . 50.0 111.582 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.5 mmt -77.19 -37.41 53.63 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.363 -0.535 . . . . 50.0 109.92 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.12 91.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.961 -0.462 . . . . 25.0 110.393 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -72.36 4.38 3.8 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.638 -1.289 . . . . 50.0 113.661 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -118.29 -18.51 9.24 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 112.769 0.655 . . . . 50.0 112.769 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.5 mtt -125.54 12.22 8.03 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.517 0.562 . . . . 50.0 112.517 -171.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -81.16 62.5 5.13 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.913 -1.143 . . . . 50.0 107.913 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -105.47 159.18 16.13 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.706 -1.22 . . . . 50.0 107.706 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 t -78.27 -5.0 50.67 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 121.077 0.465 . . . . 25.0 111.247 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -129.72 95.91 4.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 103.6 -2.741 . . . . 25.0 103.6 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.0 p -154.96 159.43 40.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.358 -0.979 . . . . 50.0 108.358 -171.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.26 -19.25 63.13 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -68.78 -29.37 67.73 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.435 -0.791 . . . . 25.0 111.15 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.39 -40.24 81.41 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.872 0.844 . . . . 25.0 109.044 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.0 mt -66.16 -40.23 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.452 -0.795 . . . . 50.0 108.896 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -65.31 -42.37 93.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.197 -0.314 . . . . 50.0 111.706 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.43 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.95 86.24 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.88 -45.26 93.39 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.271 -0.268 . . . . 50.0 110.529 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -70.07 -22.64 63.04 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.834 0.679 . . . . 50.0 112.834 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.57 -38.09 81.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.461 -0.94 . . . . 50.0 108.461 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -87.98 -39.31 14.8 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.576 -0.45 . . . . 25.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -81.66 76.44 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.009 0.909 . . . . 50.0 110.339 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -66.24 -23.72 66.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.214 -0.903 . . . . 50.0 112.138 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -75.72 -24.6 56.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.406 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.14 13.12 79.61 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.24 2.17 52.89 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.469 1.655 . . . . 50.0 115.469 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 4.19 68.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 116.238 1.255 . . . . 50.0 116.238 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.56 143.64 35.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.614 -0.513 . . . . 50.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 mt -110.62 111.07 34.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 108.071 -1.085 . . . . 50.0 108.071 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.6 p -82.93 161.58 21.78 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.508 -0.745 . . . . 50.0 109.888 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.22 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.891 0.377 . . . . 25.0 111.067 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.56 83.28 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.341 0.591 . . . . 25.0 110.914 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -69.87 -41.91 74.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.911 -0.586 . . . . 50.0 110.081 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -45.98 89.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.211 -1.033 . . . . 50.0 108.211 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -58.38 -37.86 76.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 50.0 110.354 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -62.67 -45.6 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.126 0.489 . . . . 50.0 110.456 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.99 -47.0 92.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.101 -0.333 . . . . 50.0 110.101 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.08 -39.3 81.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.565 0.58 . . . . 50.0 112.565 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.5 m -63.06 -42.16 99.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -71.89 -24.95 61.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.739 0.304 . . . . 25.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.6 mt -76.85 -19.66 57.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.022 0.529 . . . . 75.0 110.546 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.48 24.42 31.04 Favored Glycine 0 C--O 1.242 0.617 0 C-N-CA 121.287 -0.482 . . . . 50.0 113.239 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.89 163.98 18.41 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.685 0.755 . . . . 50.0 112.632 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -129.45 57.53 1.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.749 . . . . 50.0 111.75 -173.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.85 162.48 22.09 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 105.634 -1.987 . . . . 50.0 105.634 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.6 p -93.44 167.93 11.39 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.23 -32.94 74.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.325 -0.62 . . . . 50.0 109.325 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.21 -32.19 69.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.539 -0.755 . . . . 75.0 111.403 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.35 -35.31 73.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.07 -38.21 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.987 -0.745 . . . . 50.0 108.987 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.98 -48.24 82.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.03 -37.83 83.95 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.591 -0.693 . . . . 25.0 112.102 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.92 -32.32 73.59 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.976 -0.452 . . . . 75.0 111.966 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -75.96 -41.17 38.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.131 -0.322 . . . . 50.0 110.131 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.84 -35.49 70.98 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.817 1.414 . . . . 50.0 114.817 -174.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.8 -25.21 64.58 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.624 0.249 . . . . 50.0 111.517 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.13 -17.11 14.25 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -82.73 82.1 8.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.75 0.786 . . . . 50.0 111.979 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.17 -40.54 87.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.837 -1.074 . . . . 50.0 111.826 -177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -86.18 -14.68 43.31 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.762 1.023 . . . . 50.0 113.762 -176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.16 17.92 77.36 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 116.274 1.27 . . . . 50.0 116.274 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -83.27 -0.65 50.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.145 1.165 . . . . 50.0 114.145 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.05 10.75 77.81 Favored Glycine 0 C--O 1.247 0.923 0 C-N-CA 120.969 -0.634 . . . . 50.0 113.052 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -135.84 162.36 33.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.69 0.757 . . . . 50.0 110.261 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.05 118.1 49.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 106.226 -1.768 . . . . 50.0 106.226 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -79.11 171.12 15.64 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 105.469 -2.049 . . . . 50.0 105.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.14 -43.45 95.71 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.805 -0.758 . . . . 50.0 111.929 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.22 -40.91 97.02 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.527 0.679 . . . . 50.0 111.774 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -66.29 -32.65 74.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.883 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -67.7 -34.94 77.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.166 -0.334 . . . . 50.0 110.81 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.22 -40.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 107.992 -1.114 . . . . 50.0 107.992 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -62.8 -43.36 99.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 120.747 -0.381 . . . . 50.0 110.347 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.4 ttt -66.01 -19.07 65.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.779 0.659 . . . . 50.0 112.779 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 tpp -81.68 -28.25 33.61 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.836 -0.54 . . . . 25.0 110.913 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t -107.09 -7.96 16.69 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -146.07 165.29 29.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt . . . . . 0 CA--C 1.505 -0.788 0 N-CA-C 107.462 -1.31 . . . . 50.0 107.462 176.756 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.507 ' H2 ' ' CD ' ' A' ' 7' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -63.88 144.93 56.67 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 104.594 -2.373 . . . . 25.0 104.594 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -56.22 127.9 33.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.581 1.181 . . . . 50.0 113.51 -170.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.1 tp -143.14 -179.52 6.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 104.66 -2.348 . . . . 50.0 104.66 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -56.5 -45.05 81.24 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.43 -26.17 62.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.894 -0.503 . . . . 50.0 112.168 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.507 ' CD ' ' H2 ' ' A' ' 1' ' ' ALA . 67.3 mm-40 -71.8 -37.98 70.33 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 108.879 -0.785 . . . . 50.0 108.879 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.38 -38.45 87.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.094 0.473 . . . . 75.0 110.371 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.14 -37.24 76.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.879 -0.785 . . . . 50.0 108.879 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.53 -35.89 78.09 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.906 -0.496 . . . . 25.0 111.103 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -64.35 -40.76 96.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.305 0.574 . . . . 50.0 109.744 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -69.45 -26.97 64.85 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.49 -0.756 . . . . 25.0 111.309 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -66.12 -37.3 85.39 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.925 -0.398 . . . . 50.0 109.925 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -40.78 90.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.714 -0.476 . . . . 50.0 109.714 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.12 80.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.84 0.352 . . . . 25.0 110.86 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -67.92 -42.94 80.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 50.0 110.04 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -66.96 -19.78 65.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.168 0.509 . . . . 50.0 111.012 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.92 -23.38 62.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.308 -0.406 . . . . 50.0 110.455 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.23 -42.31 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 122.296 0.239 . . . . 50.0 111.417 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -74.66 96.82 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.83 0.824 . . . . 50.0 111.454 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -80.0 -24.46 40.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.54 -0.755 . . . . 75.0 111.627 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -76.01 -27.93 57.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 75.0 110.939 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.32 27.59 61.44 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.203 -0.523 . . . . 25.0 112.122 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -107.67 -1.13 21.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.804 1.039 . . . . 50.0 113.804 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 9.94 65.13 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 115.167 0.827 . . . . 50.0 115.167 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -131.43 156.65 45.24 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.712 0.756 . . . . 25.0 112.118 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mt -119.58 120.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 107.169 -1.419 . . . . 50.0 107.169 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -111.6 169.67 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -56.67 -33.57 66.52 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.665 0.666 . . . . 25.0 112.644 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -58.29 -43.78 88.17 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.773 0.797 . . . . 50.0 110.629 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.12 -41.06 43.51 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.642 -0.708 . . . . 50.0 110.91 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.51 -46.14 91.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 50.0 109.343 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.72 -32.63 84.84 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 116.168 -0.469 . . . . 50.0 112.691 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.6 m -64.44 -39.88 94.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.124 0.462 . . . . 25.0 109.864 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.68 -43.03 62.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 121.954 -0.466 . . . . 50.0 110.358 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.35 -44.37 95.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.926 -0.484 . . . . 50.0 112.122 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -71.26 -20.37 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.403 -0.811 . . . . 50.0 112.223 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -76.72 -21.76 54.85 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.881 -0.512 . . . . 50.0 109.7 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.48 -5.96 59.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.367 -0.605 . . . . 50.0 109.367 174.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.13 6.66 68.83 Favored Glycine 0 C--O 1.226 -0.353 0 CA-C-N 116.09 -0.504 . . . . 50.0 113.428 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -77.11 150.89 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -116.57 59.55 2.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 122.953 0.501 . . . . 50.0 111.904 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.01 158.48 45.84 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 116.199 -2.068 . . . . 50.0 113.676 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.9 p -83.48 162.68 20.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -67.37 -31.13 71.16 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.394 -0.816 . . . . 25.0 110.741 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.76 76.22 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.91 -41.53 91.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.426 0.631 . . . . 50.0 109.624 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.57 -37.11 82.17 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.201 -0.454 . . . . 50.0 111.407 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.63 -41.37 65.57 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.651 -0.25 . . . . 50.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.92 -33.24 74.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 50.0 109.239 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.03 -24.79 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.047 0.451 . . . . 50.0 111.164 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -83.7 -45.48 18.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 N-CA-C 109.0 -0.741 . . . . 50.0 109.0 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.3 mt -56.52 -38.27 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.364 0.266 . . . . 50.0 111.084 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' CD ' HH12 ' A' ' 74' ' ' ARG . 1.6 mm-40 -58.27 -19.22 32.54 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.903 1.446 . . . . 50.0 114.903 178.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.8 -3.97 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 113.796 1.035 . . . . 50.0 113.796 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.78 56.64 2.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.504 0.721 . . . . 50.0 112.486 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.22 -16.45 60.22 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.64 -0.26 40.62 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.143 0.423 . . . . 50.0 112.143 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 16.56 67.53 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.973 1.549 . . . . 50.0 116.973 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -84.31 3.62 34.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.9 1.444 . . . . 50.0 114.9 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.19 7.44 88.45 Favored Glycine 0 C--O 1.24 0.492 0 N-CA-C 115.489 0.955 . . . . 50.0 115.489 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.1 p -141.55 162.93 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.146 0.473 . . . . 25.0 111.388 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.1 mt -93.12 113.92 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.95 -1.87 . . . . 50.0 105.95 172.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.13 172.18 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.475 -0.935 . . . . 50.0 108.475 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.09 -46.03 99.74 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 116.347 1.98 . . . . 50.0 116.347 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.91 -21.33 24.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.415 -3.924 . . . . 50.0 113.686 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -77.45 -31.06 53.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.793 -0.818 . . . . 50.0 108.793 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -65.8 -35.67 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 173.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.79 -36.11 77.86 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.357 -0.383 . . . . 50.0 110.787 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.85 -40.76 92.03 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.952 -0.468 . . . . 25.0 109.919 174.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 ttp -62.21 -37.78 86.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.47 0.652 . . . . 50.0 109.964 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.6 tpt -66.34 -34.27 77.61 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.854 -0.529 . . . . 50.0 111.008 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.51 86.92 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.724 -0.61 . . . . 25.0 109.901 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.422 HH12 ' CD ' ' A' ' 54' ' ' GLU . 96.1 mtt180 -70.29 -10.54 59.27 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.654 0.74 . . . . 50.0 112.382 176.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -80.86 -6.78 59.06 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.29 -0.881 . . . . 50.0 109.639 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.0 mtp -112.23 -14.37 13.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.204 0.816 . . . . 50.0 113.204 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -166.68 163.95 16.73 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 105.314 -2.106 . . . . 50.0 105.314 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 60.56 -163.53 0.25 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.163 0.915 . . . . 50.0 109.511 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -163.71 172.11 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -77.76 106.68 9.74 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.783 -2.303 . . . . 25.0 104.783 171.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.0 p -94.57 -16.59 23.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.823 1.046 . . . . 50.0 113.823 -167.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.96 -28.5 67.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -173.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -61.72 -41.13 97.21 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.586 -0.696 . . . . 25.0 111.244 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -69.36 -35.55 75.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.634 -0.666 . . . . 25.0 109.61 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.71 -37.9 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -65.81 -40.48 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.0 -0.438 . . . . 50.0 110.932 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -66.85 -37.25 84.11 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.288 -0.565 . . . . 50.0 110.667 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.27 86.98 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.976 -0.452 . . . . 25.0 110.584 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.88 -43.27 98.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.09 -17.61 64.61 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.573 1.323 . . . . 50.0 114.573 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.34 -37.39 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.505 -0.924 . . . . 50.0 108.505 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.38 -38.63 13.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.1 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 54.42 2.74 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.438 1.113 . . . . 50.0 108.633 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -69.03 -8.93 49.66 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.547 1.314 . . . . 50.0 114.547 -174.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -91.91 -8.13 47.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.595 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.53 16.79 79.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 117.967 1.947 . . . . 25.0 117.967 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -89.37 1.39 55.87 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.38 1.622 . . . . 50.0 115.38 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.64 3.27 66.63 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.533 0.973 . . . . 50.0 115.533 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -139.06 141.19 38.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.152 0.476 . . . . 50.0 110.684 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -98.08 105.13 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.022 -1.473 . . . . 50.0 107.022 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.1 p -79.56 161.59 25.87 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.687 -0.633 . . . . 50.0 109.565 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -35.54 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.635 0.731 . . . . 25.0 109.569 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.48 87.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.267 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.14 -43.0 65.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.362 -0.211 . . . . 50.0 110.887 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -47.68 83.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.468 -0.493 . . . . 50.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.745 -0.597 . . . . 50.0 111.704 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -68.26 -43.24 78.28 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.92 -0.77 . . . . 50.0 108.92 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.44 -44.33 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.855 -0.795 . . . . 50.0 108.855 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.2 mmt -60.4 -41.31 93.62 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.508 0.559 . . . . 50.0 112.508 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.14 -38.25 90.45 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.968 -0.457 . . . . 25.0 110.574 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.12 -26.15 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.296 . . . . 25.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.42 -20.39 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.701 0.401 . . . . 75.0 110.498 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.28 2.82 57.82 Favored Glycine 0 C--O 1.239 0.435 0 CA-C-N 116.077 -0.511 . . . . 50.0 112.389 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.58 150.8 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.231 0.539 . . . . 50.0 110.144 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -127.69 48.57 2.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.966 -0.561 . . . . 50.0 112.429 -172.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.32 156.36 39.6 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.34 -1.726 . . . . 50.0 106.34 174.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -85.59 163.22 18.48 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -64.39 -30.21 71.26 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.13 -37.28 83.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 75.0 111.603 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -65.79 -38.22 88.41 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.258 0.552 . . . . 50.0 109.7 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.46 -38.56 74.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 N-CA-C 109.089 -0.708 . . . . 50.0 109.089 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.004 0.431 . . . . 50.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.12 -43.1 95.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.076 0.465 . . . . 25.0 110.521 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 mtt -67.95 -34.48 76.66 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.7 0.63 . . . . 75.0 112.7 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.44 -43.55 48.97 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.0 mtm105 -63.84 -29.78 70.94 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 115.75 1.759 . . . . 50.0 115.75 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.17 -24.19 62.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.536 0.607 . . . . 50.0 110.606 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.01 -20.7 17.24 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.694 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -83.54 76.4 9.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.812 0.815 . . . . 50.0 111.509 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.39 -40.81 89.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.756 -1.111 . . . . 50.0 111.377 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -82.47 -13.13 57.22 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.999 1.111 . . . . 50.0 113.999 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.98 79.86 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 117.65 1.82 . . . . 50.0 117.65 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.71 -0.91 52.8 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.768 1.396 . . . . 50.0 114.768 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.2 8.49 74.98 Favored Glycine 0 C--O 1.247 0.966 0 C-N-CA 121.504 -0.379 . . . . 50.0 113.741 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.92 164.98 27.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.21 0.528 . . . . 50.0 109.816 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.6 t -102.1 116.27 45.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 107.435 -1.32 . . . . 50.0 107.435 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.13 173.35 12.68 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.283 -1.747 . . . . 50.0 106.283 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.22 -44.51 97.15 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.622 -0.674 . . . . 50.0 112.736 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.3 -42.84 99.7 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.334 1.064 . . . . 50.0 110.904 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.31 -30.02 70.83 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.688 -1.142 . . . . 50.0 111.487 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -68.33 -34.92 76.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.816 -0.553 . . . . 50.0 110.657 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 83.1 t -68.65 -39.06 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.219 -1.03 . . . . 50.0 108.219 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -61.47 -42.15 98.34 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 122.076 -0.39 . . . . 50.0 109.97 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.1 ttt -67.48 -19.32 65.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.567 0.699 . . . . 50.0 112.322 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.1 ttm -83.13 -28.94 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.905 -0.497 . . . . 25.0 111.154 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.1 t -95.71 -16.04 22.24 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.42 157.7 36.03 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 54.4 tttt . . . . . 0 C--O 1.239 0.539 0 N-CA-C 105.049 -2.204 . . . . 50.0 105.049 172.407 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 120.575 0.226 . . . . 25.0 110.565 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -81.71 166.41 20.12 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 124.149 0.98 . . . . 25.0 110.606 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -93.84 139.38 30.94 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.402 0.62 . . . . 50.0 110.261 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.5 mp -84.27 147.07 27.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.506 -0.77 . . . . 50.0 111.896 -175.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.1 p -78.31 163.31 25.82 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.381 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.24 -33.04 71.72 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 121.375 0.607 . . . . 50.0 110.187 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.82 -43.36 93.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.072 -0.513 . . . . 50.0 112.105 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -67.73 -37.97 82.91 Favored 'General case' 0 C--O 1.21 -0.981 0 N-CA-C 110.184 -0.302 . . . . 75.0 110.184 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.26 -35.21 74.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 108.846 -0.798 . . . . 50.0 108.846 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -35.84 77.23 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.702 -0.623 . . . . 25.0 110.803 175.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.4 -48.93 65.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.502 1.144 . . . . 50.0 111.411 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -72.23 -21.94 61.32 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 114.695 1.369 . . . . 25.0 114.695 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -71.16 -22.74 62.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.067 0.849 . . . . 50.0 110.564 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -77.58 -44.71 27.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.251 -1.018 . . . . 50.0 108.251 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -33.83 74.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.755 0.312 . . . . 25.0 110.307 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -67.05 -42.73 84.31 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.762 -0.459 . . . . 50.0 109.762 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -65.12 -17.91 64.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.108 0.41 . . . . 50.0 112.108 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.76 -25.26 53.23 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-O 121.987 0.898 . . . . 50.0 110.032 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -94.85 -42.75 8.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.047 -0.979 . . . . 50.0 111.998 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -74.33 104.78 5.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.516 0.674 . . . . 50.0 109.316 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -75.8 -19.29 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.998 1.111 . . . . 75.0 113.998 -172.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -115.08 -12.9 11.88 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.998 1.11 . . . . 75.0 113.998 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.53 12.73 82.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 117.604 1.801 . . . . 25.0 117.604 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.17 -8.05 56.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.657 1.355 . . . . 50.0 114.657 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 2.9 52.36 Favored Glycine 0 C--O 1.229 -0.204 0 N-CA-C 114.782 0.673 . . . . 50.0 114.782 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -134.57 157.2 47.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.02 0.438 . . . . 25.0 110.074 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.7 mt -115.01 115.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 105.621 -1.992 . . . . 50.0 105.621 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -86.01 166.09 16.16 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -61.53 -30.88 70.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.875 -0.516 . . . . 25.0 109.86 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.07 -44.15 89.9 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.403 0.62 . . . . 50.0 110.692 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.6 -40.02 76.9 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.78 -45.69 93.4 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.763 -0.828 . . . . 50.0 108.763 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -33.55 87.54 Favored Glycine 0 C--O 1.222 -0.616 0 CA-C-N 115.948 -0.569 . . . . 50.0 112.998 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.2 m -68.17 -42.53 79.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.881 -0.776 . . . . 25.0 110.362 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.31 -41.13 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.6 mmt -56.81 -47.47 80.18 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.422 0.289 . . . . 50.0 110.572 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.43 -35.93 80.78 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.057 0.391 . . . . 50.0 112.057 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -67.54 -26.54 66.37 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.385 0.612 . . . . 50.0 111.276 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.35 -1.32 57.83 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.838 0.855 . . . . 50.0 110.953 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.31 5.71 75.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.196 -0.526 . . . . 50.0 113.916 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -92.38 146.21 23.87 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.901 -0.777 . . . . 50.0 108.901 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -133.79 70.42 75.28 Favored Pre-proline 0 N--CA 1.479 0.981 0 O-C-N 121.859 -0.525 . . . . 50.0 111.474 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.76 168.3 24.9 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 120.511 0.808 . . . . 50.0 112.204 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -81.8 163.62 22.23 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.049 -1.463 . . . . 25.0 107.049 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -67.14 -28.11 67.87 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.187 -0.605 . . . . 25.0 110.646 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.16 78.41 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -65.21 -38.22 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 122.558 1.171 . . . . 50.0 109.239 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.79 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.524 -0.735 . . . . 50.0 109.404 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -67.88 -44.03 77.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.52 -0.752 . . . . 50.0 111.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.18 -32.27 72.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.578 1.081 . . . . 50.0 109.949 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.73 -24.88 63.62 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.402 0.519 . . . . 50.0 112.402 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mm -77.25 -52.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.575 -1.269 . . . . 50.0 107.575 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.97 -27.83 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.41 0.684 . . . . 50.0 112.459 -174.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.1 -32.61 55.39 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.563 0.579 . . . . 50.0 112.563 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 m -119.5 -12.02 10.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 N-CA-C 114.022 1.119 . . . . 50.0 114.022 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.6 49.07 0.98 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.928 0.891 . . . . 50.0 110.697 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.17 58.75 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.441 -0.787 . . . . 25.0 112.09 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -85.21 -6.36 59.28 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.523 -0.308 . . . . 50.0 111.021 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 19.96 71.22 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 116.109 1.204 . . . . 50.0 116.109 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.46 -3.69 59.0 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.692 1.367 . . . . 50.0 114.692 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.72 0.09 76.01 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 116.945 1.538 . . . . 50.0 116.945 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -142.93 151.87 41.43 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.426 1.113 . . . . 25.0 113.045 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.6 mt -81.93 111.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 106.24 -1.763 . . . . 50.0 106.24 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -87.73 172.43 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.147 -1.056 . . . . 50.0 108.147 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -54.25 -49.34 90.9 Favored Pre-proline 0 CA--C 1.565 1.552 0 N-CA-C 115.435 1.643 . . . . 50.0 115.435 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 -23.18 32.48 Favored 'Trans proline' 0 C--N 1.356 0.944 1 C-N-CA 112.801 -4.333 . . . . 50.0 114.311 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -75.51 -33.05 60.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.23 0.538 . . . . 50.0 110.214 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.85 -37.98 85.5 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.393 -0.817 . . . . 50.0 109.126 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.35 -40.51 96.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.305 -0.861 . . . . 50.0 109.295 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -65.87 -37.32 85.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.748 -0.595 . . . . 25.0 111.034 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.1 ttm -60.13 -42.96 95.9 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.185 -0.672 . . . . 50.0 109.185 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 mmt -67.73 -38.87 84.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.708 -0.224 . . . . 50.0 111.05 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.38 72.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -63.98 -14.99 58.21 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 112.602 0.593 . . . . 50.0 112.602 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -112.32 -7.54 13.98 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.409 0.892 . . . . 50.0 113.409 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 95.7 mmm -125.76 20.9 7.74 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.26 0.552 . . . . 50.0 110.978 -176.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 144.2 57.43 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 114.428 1.27 . . . . 50.0 114.428 -174.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -83.14 -44.54 14.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.274 -1.75 . . . . 50.0 106.274 167.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.4 m -152.13 149.92 29.32 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.47 176.42 10.62 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.0 p -87.44 -7.33 57.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 115.513 1.672 . . . . 50.0 115.513 -170.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.78 -34.61 69.77 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.184 0.516 . . . . 25.0 112.255 -175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -67.64 -30.63 70.24 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 121.663 -0.648 . . . . 25.0 112.133 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -73.13 -38.55 66.24 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.165 0.507 . . . . 25.0 109.684 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.24 -41.91 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 107.044 -1.465 . . . . 50.0 107.044 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -61.22 -41.33 96.66 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.58 -0.7 . . . . 50.0 112.484 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.77 -47.65 77.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.25 -0.58 . . . . 50.0 109.984 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.82 95.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.175 0.297 . . . . 25.0 111.536 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.5 -42.32 99.42 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.319 0.581 . . . . 50.0 110.205 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 mtm105 -70.8 -11.23 60.83 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.305 1.224 . . . . 50.0 114.305 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.1 t -68.48 -43.24 83.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.694 -1.225 . . . . 50.0 107.694 172.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.41 -45.93 12.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.502 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -80.12 62.28 4.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.211 1.005 . . . . 50.0 109.594 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -70.62 -22.05 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.372 -0.831 . . . . 50.0 113.1 -173.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -88.51 -9.41 52.48 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.852 0.358 . . . . 25.0 110.832 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.55 31.38 70.88 Favored Glycine 0 C--O 1.229 -0.178 0 N-CA-C 116.875 1.51 . . . . 25.0 116.875 173.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -92.45 2.76 56.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.322 0.86 . . . . 50.0 113.322 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.24 2.65 73.65 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 115.477 0.951 . . . . 50.0 115.477 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -138.94 158.09 44.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.322 -0.517 . . . . 50.0 111.428 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.7 mt -115.99 114.34 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 105.857 -1.905 . . . . 50.0 105.857 171.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.56 163.96 20.07 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.759 -1.2 . . . . 50.0 107.759 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.85 70.84 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.747 0.784 . . . . 25.0 110.115 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.44 84.91 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.507 -0.77 . . . . 25.0 110.53 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -69.34 -40.13 77.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.14 -0.35 . . . . 50.0 110.237 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -45.21 91.53 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.351 -0.611 . . . . 50.0 109.351 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -63.03 -35.5 80.43 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.658 -0.246 . . . . 50.0 110.895 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -60.73 -49.81 75.98 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 110.038 -0.356 . . . . 50.0 110.038 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.96 -45.82 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.361 -0.382 . . . . 50.0 110.696 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.9 mtt -61.52 -40.52 94.93 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.428 0.899 . . . . 50.0 113.428 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 42.3 m -62.79 -38.7 91.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.407 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.87 -28.03 63.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.48 -21.81 52.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.393 -0.367 . . . . 75.0 110.248 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.79 24.36 35.78 Favored Glycine 0 C--O 1.248 0.986 0 O-C-N 123.732 0.645 . . . . 50.0 111.732 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.21 159.24 31.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.776 0.798 . . . . 50.0 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -131.51 88.12 2.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.192 0.812 . . . . 50.0 113.192 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -124.8 158.54 33.11 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 103.137 -2.912 . . . . 50.0 103.137 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -83.11 166.36 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.13 -33.25 74.13 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 121.676 -0.64 . . . . 50.0 110.47 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.89 -35.38 69.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.778 0.323 . . . . 75.0 111.324 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -66.67 -39.57 88.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.136 0.493 . . . . 50.0 110.311 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -68.4 -35.13 69.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 O-C-N 121.321 -0.862 . . . . 50.0 110.404 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -65.09 -41.35 95.09 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.797 -0.816 . . . . 50.0 108.797 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.35 -46.28 89.39 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 123.235 0.614 . . . . 25.0 111.357 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtp -61.08 -38.28 85.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.309 0.576 . . . . 75.0 111.464 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -72.98 -41.44 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -64.43 -35.19 80.11 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.739 1.014 . . . . 50.0 113.739 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.24 -14.28 60.9 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.816 0.734 . . . . 50.0 110.977 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.78 -28.67 13.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.64 -0.255 . . . . 25.0 111.469 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -80.38 76.92 7.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.591 0.71 . . . . 50.0 111.929 -175.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.9 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 123.943 0.897 . . . . 50.0 111.205 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.68 -10.23 57.5 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.21 1.189 . . . . 50.0 114.21 -176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.05 16.54 79.66 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 118.049 1.98 . . . . 50.0 118.049 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.07 -4.84 59.05 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.656 1.354 . . . . 50.0 114.656 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.56 6.24 68.28 Favored Glycine 0 C--O 1.249 1.091 0 O-C-N 121.316 -0.865 . . . . 50.0 113.53 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.84 164.38 27.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 121.48 0.657 . . . . 50.0 109.883 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.3 t -101.66 115.18 42.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 105.347 -2.094 . . . . 50.0 105.347 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -74.98 174.09 9.79 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 107.73 -1.211 . . . . 50.0 107.73 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.09 -46.86 88.9 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.03 -1.044 . . . . 50.0 112.246 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.77 -38.29 90.48 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 121.93 0.871 . . . . 50.0 110.917 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.29 -26.67 64.85 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.544 -0.753 . . . . 50.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -67.76 -28.95 68.06 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.618 -0.677 . . . . 50.0 110.315 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.62 -39.85 70.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.398 -1.334 . . . . 50.0 107.398 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -62.47 -41.87 99.08 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.805 -0.442 . . . . 50.0 109.805 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.5 ttp -68.94 -19.15 64.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.033 0.444 . . . . 50.0 111.522 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 ttm -82.31 -22.98 35.4 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.832 -0.543 . . . . 25.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.4 t -98.27 -10.23 24.27 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.96 174.0 10.52 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 106.272 -1.751 . . . . 25.0 106.272 167.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.7 tttp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.565 -1.683 . . . . 50.0 112.588 -172.123 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -77.07 -21.84 53.78 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.643 0.735 . . . . 25.0 109.207 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -123.81 165.96 16.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.105 -1.443 . . . . 50.0 107.105 174.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.64 142.96 54.96 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.094 -1.076 . . . . 50.0 108.094 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 p -82.45 164.45 20.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 173.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.99 -30.58 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.315 -0.624 . . . . 50.0 109.315 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -63.38 -38.99 93.29 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 121.326 0.584 . . . . 50.0 111.006 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -71.95 -34.88 69.35 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 121.806 -0.559 . . . . 75.0 111.483 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.78 -36.81 78.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.011 -1.107 . . . . 50.0 108.011 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 -41.12 85.73 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 110.244 -0.28 . . . . 25.0 110.244 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.38 -37.72 84.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.1 0.476 . . . . 50.0 110.805 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -69.54 -26.52 64.54 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.335 -0.853 . . . . 25.0 110.678 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.51 -36.74 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.592 -0.521 . . . . 50.0 109.592 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.75 -39.57 76.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.712 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.002 0.43 . . . . 25.0 110.683 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.06 -45.38 81.55 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 t -62.63 -33.9 75.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.676 0.75 . . . . 50.0 110.349 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.03 -24.21 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.596 0.591 . . . . 50.0 112.596 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.69 -35.57 14.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.98 -0.45 . . . . 50.0 110.082 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.77 84.27 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.107 0.956 . . . . 50.0 110.851 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.27 -21.42 64.81 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.442 1.275 . . . . 75.0 114.442 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -104.57 -9.61 18.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.867 0.692 . . . . 75.0 112.867 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 14.01 82.62 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 116.916 1.526 . . . . 25.0 116.916 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -82.5 -1.23 49.8 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.222 1.193 . . . . 50.0 114.222 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 6.65 68.82 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.838 0.695 . . . . 50.0 114.838 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -134.55 154.6 51.38 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 117.705 0.753 . . . . 25.0 110.677 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.3 mt -113.49 123.31 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.747 -1.205 . . . . 50.0 107.747 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -97.67 167.2 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -58.71 -33.46 70.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.633 0.73 . . . . 25.0 110.989 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -68.0 -38.46 82.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 50.0 111.02 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.66 -37.48 70.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.506 -0.315 . . . . 50.0 110.62 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.68 -41.92 99.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.0 88.75 Favored Glycine 0 C--O 1.227 -0.324 0 CA-C-N 115.698 -0.683 . . . . 50.0 112.429 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.7 m -65.04 -41.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.988 -0.713 . . . . 25.0 109.755 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.53 -42.58 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.687 -0.486 . . . . 50.0 109.687 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -63.46 -38.41 91.03 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.93 -0.481 . . . . 50.0 111.492 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -72.65 -24.14 61.0 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.941 -0.474 . . . . 50.0 112.028 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -70.52 -30.22 66.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 mt -82.09 -4.74 57.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.679 -0.691 . . . . 50.0 110.368 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.57 4.01 70.85 Favored Glycine 0 N--CA 1.458 0.146 0 N-CA-C 115.136 0.814 . . . . 50.0 115.136 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -77.13 159.58 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.142 -0.622 . . . . 50.0 111.873 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -131.84 70.68 80.9 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 122.5 0.32 . . . . 50.0 110.987 174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.72 167.46 26.31 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 118.458 -0.561 . . . . 50.0 111.184 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -87.34 162.67 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.722 -1.585 . . . . 25.0 106.722 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.87 -30.04 70.58 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.443 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.39 89.97 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.426 -0.171 . . . . 25.0 111.254 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.09 -42.91 88.69 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.832 0.825 . . . . 50.0 108.998 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.56 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.764 -0.585 . . . . 50.0 109.804 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.94 -41.87 77.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.603 -0.713 . . . . 50.0 112.353 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -31.51 66.93 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.992 1.269 . . . . 50.0 109.825 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -64.7 -24.94 67.73 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.914 -0.314 . . . . 50.0 111.384 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mm -81.4 -50.12 17.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.85 -32.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.328 0.651 . . . . 50.0 112.634 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.51 -22.72 56.06 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.23 0.538 . . . . 50.0 112.408 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -115.87 -32.05 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.198 0.523 . . . . 50.0 111.364 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -79.37 59.63 2.93 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.704 0.802 . . . . 50.0 112.74 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -23.39 66.54 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.107 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -78.99 -16.93 56.24 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.002 0.371 . . . . 50.0 112.002 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.58 13.06 83.31 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 117.397 1.719 . . . . 50.0 117.397 173.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -80.18 -0.34 35.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.503 1.652 . . . . 50.0 114.323 -176.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.66 1.56 82.93 Favored Glycine 0 C--O 1.244 0.728 0 N-CA-C 115.4 0.92 . . . . 50.0 115.4 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -133.9 160.49 37.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.7 mt -104.63 107.82 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 105.095 -2.187 . . . . 50.0 105.095 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -88.26 -179.47 6.14 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.869 -1.16 . . . . 50.0 107.869 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.89 -46.98 99.44 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 116.287 1.958 . . . . 50.0 116.287 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.62 -21.35 25.69 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 112.957 -4.229 . . . . 50.0 113.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -67.24 -37.83 84.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -39.48 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 175.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.9 m -67.39 -37.74 83.59 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.178 0.513 . . . . 25.0 111.135 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.1 ttp -63.53 -39.35 94.18 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.255 -0.903 . . . . 50.0 109.926 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.1 mmt -69.94 -35.57 74.62 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.133 -0.321 . . . . 50.0 110.133 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.52 97.81 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 121.453 -0.099 . . . . 25.0 111.053 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 ptt85 -72.93 -8.79 57.28 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.012 0.745 . . . . 50.0 113.012 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.9 -28.76 44.03 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.039 -0.726 . . . . 50.0 109.039 171.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.6 mmt -101.18 34.67 2.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.664 -0.698 . . . . 50.0 109.648 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -67.55 138.51 56.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.321 -1.733 . . . . 50.0 106.321 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -63.83 158.1 22.84 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.927 -0.768 . . . . 50.0 108.927 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -66.68 161.71 22.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.545 0.688 . . . . 25.0 111.798 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.26 157.93 36.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.628 -0.715 . . . . 25.0 109.915 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.6 p -98.42 174.51 6.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.724 -0.671 . . . . 50.0 109.642 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.87 -20.54 37.36 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.82 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.52 -39.41 94.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.068 0.395 . . . . 25.0 112.068 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.03 -45.97 72.49 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.452 ' HB ' ' HH ' ' A' ' 138' ' ' TYR . 73.0 mt -62.74 -38.3 81.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.616 -1.174 . . . . 50.0 108.671 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -67.21 -34.42 77.45 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.884 0.698 . . . . 50.0 112.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.63 -44.28 96.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 118.664 0.666 . . . . 50.0 109.658 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.92 87.88 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.358 0.599 . . . . 25.0 110.423 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.37 -41.6 98.75 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.143 -0.481 . . . . 50.0 110.158 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.74 -19.14 65.78 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.018 1.118 . . . . 50.0 114.018 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.79 -39.55 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -98.24 -36.9 9.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -80.54 78.37 7.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.75 0.786 . . . . 50.0 109.773 177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -70.44 -24.03 62.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.259 -0.882 . . . . 50.0 111.141 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -70.91 -26.4 63.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.185 0.517 . . . . 25.0 110.635 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 20.95 76.79 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.881 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -94.25 1.46 55.98 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.309 1.596 . . . . 50.0 115.309 -172.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.25 0.92 62.95 Favored Glycine 0 N--CA 1.458 0.159 0 N-CA-C 115.926 1.131 . . . . 50.0 115.926 176.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -133.93 145.71 49.84 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.222 0.511 . . . . 50.0 109.932 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -105.78 126.37 61.14 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 105.01 -2.219 . . . . 50.0 105.01 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.8 p -110.34 168.13 9.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.533 -0.729 . . . . 50.0 110.777 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.42 76.92 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.218 0.532 . . . . 25.0 110.573 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.39 70.12 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.803 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -86.76 -38.67 16.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 50.0 111.102 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.17 -40.94 97.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.325 -0.62 . . . . 50.0 109.325 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -24.75 63.79 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 120.308 -0.557 . . . . 50.0 110.878 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -43.29 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.236 -0.653 . . . . 50.0 109.236 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.27 -42.64 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.999 -0.546 . . . . 50.0 109.612 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -62.09 -41.94 98.7 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.52 0.193 . . . . 50.0 111.52 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.6 m -62.6 -38.8 91.55 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.689 -0.632 . . . . 25.0 110.395 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.67 -23.53 60.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.769 0.285 . . . . 25.0 111.769 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.02 -19.33 58.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.913 0.387 . . . . 75.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.46 -11.63 36.16 Favored Glycine 0 CA--C 1.511 -0.159 0 CA-C-N 115.564 -0.744 . . . . 50.0 111.652 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.46 152.94 44.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.232 0.539 . . . . 50.0 111.274 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -136.56 61.15 1.64 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.348 0.594 . . . . 50.0 111.901 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.4 163.29 27.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.874 -1.158 . . . . 50.0 107.874 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -82.71 161.7 22.02 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 105.808 -1.923 . . . . 25.0 105.808 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.49 -30.74 71.81 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.736 -0.602 . . . . 50.0 109.944 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -68.08 -36.42 79.79 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.191 0.52 . . . . 75.0 111.585 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.7 -36.33 83.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.695 0.76 . . . . 50.0 108.986 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.73 -32.5 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.103 -0.499 . . . . 50.0 109.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.07 -40.45 96.29 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.491 -0.929 . . . . 50.0 108.491 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.13 -38.75 87.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.527 -0.306 . . . . 25.0 111.681 173.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.5 mtt -67.1 -29.91 69.79 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.869 0.366 . . . . 75.0 111.602 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.3 mm -78.91 -39.19 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.68 -33.09 69.76 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 115.2 1.556 . . . . 50.0 115.2 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -68.96 -18.72 64.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.108 -1.037 . . . . 50.0 111.224 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.65 -7.96 15.54 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.65 77.93 7.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.922 0.868 . . . . 50.0 110.619 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.29 -42.5 93.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.181 -0.918 . . . . 50.0 112.374 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.51 -4.55 57.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.109 1.152 . . . . 50.0 114.109 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.79 24.25 72.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.661 1.024 . . . . 50.0 115.661 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -85.07 1.34 48.19 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.684 1.242 . . . . 50.0 113.456 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.35 8.95 84.41 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-O 121.71 0.616 . . . . 50.0 113.601 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -139.7 164.44 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 50.0 110.603 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.97 116.02 42.34 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 104.966 -2.235 . . . . 50.0 104.966 170.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -87.19 171.75 10.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 106.713 -1.588 . . . . 50.0 106.713 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.452 ' HH ' ' HB ' ' A' ' 85' ' ' ILE . 53.3 t80 -59.5 -44.31 93.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.309 0.855 . . . . 50.0 113.309 -175.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -41.16 93.49 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.634 -0.666 . . . . 50.0 110.932 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.18 -33.81 76.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.935 -0.575 . . . . 50.0 111.099 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -35.86 81.32 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.921 -0.487 . . . . 50.0 110.796 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.25 -39.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.51 -0.922 . . . . 50.0 108.51 175.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -39.07 93.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.018 -0.426 . . . . 50.0 110.501 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttt -69.06 -17.08 63.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.615 0.766 . . . . 50.0 111.595 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.9 ttm -83.7 -25.24 30.81 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.878 -0.514 . . . . 25.0 111.698 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.1 t -111.2 -11.66 14.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.812 0.671 . . . . 25.0 112.812 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.93 -160.89 1.01 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 104.899 -2.26 . . . . 25.0 104.899 -177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 C--O 1.257 1.49 0 N-CA-C 103.705 -2.702 . . . . 50.0 103.705 171.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -75.12 165.18 25.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.765 -1.939 . . . . 25.0 105.765 173.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -131.81 144.48 50.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.935 -0.478 . . . . 50.0 111.221 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.98 140.67 58.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.509 -0.769 . . . . 50.0 109.944 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 p -105.05 160.04 15.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.242 -1.021 . . . . 25.0 108.242 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.57 -26.54 66.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.238 0.542 . . . . 50.0 110.608 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -64.03 -44.59 92.08 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.404 0.621 . . . . 50.0 109.844 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.38 -39.14 91.9 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 116.112 -0.495 . . . . 75.0 110.336 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.5 -38.61 80.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.396 -0.594 . . . . 50.0 109.396 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.58 84.11 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.829 -0.545 . . . . 25.0 110.901 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.11 -41.18 95.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.23 0.538 . . . . 50.0 110.39 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -70.54 -21.47 62.71 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.948 -0.47 . . . . 25.0 111.161 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -69.25 -40.22 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.564 -0.71 . . . . 50.0 109.324 174.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -67.21 -42.6 83.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.318 -0.623 . . . . 50.0 109.318 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.98 74.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.157 -0.474 . . . . 25.0 111.321 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -62.53 -45.36 93.31 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 122.278 -0.264 . . . . 50.0 110.621 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -71.05 -15.67 62.55 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.422 0.629 . . . . 50.0 112.618 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -32.83 71.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 174.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.54 -44.47 9.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 50.0 111.52 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -78.81 93.32 4.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.772 0.796 . . . . 50.0 109.938 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -78.74 -24.21 44.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.547 -0.751 . . . . 75.0 110.901 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.73 -37.18 67.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.922 -0.581 . . . . 75.0 110.052 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.7 19.82 65.03 Favored Glycine 0 C--O 1.223 -0.545 0 CA-C-N 115.806 -0.634 . . . . 25.0 112.434 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.97 -13.58 38.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.62 0.97 . . . . 50.0 113.62 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.4 6.35 41.68 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.917 0.727 . . . . 50.0 114.917 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -133.97 155.8 49.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.436 0.618 . . . . 25.0 110.527 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mt -119.71 129.38 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 107.431 -1.322 . . . . 50.0 107.431 176.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -114.32 173.77 6.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -55.95 -36.75 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.093 0.406 . . . . 25.0 111.99 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -59.76 -40.59 88.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 50.0 111.028 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.17 -43.31 24.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.742 -0.663 . . . . 50.0 111.982 -177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -44.88 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.021 -1.103 . . . . 50.0 108.021 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -34.63 90.44 Favored Glycine 0 C--O 1.216 -0.988 0 CA-C-N 115.688 -0.687 . . . . 50.0 113.031 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -61.22 -44.16 97.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.386 1.093 . . . . 25.0 109.441 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.81 -41.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.769 -0.372 . . . . 50.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmt -64.97 -36.49 84.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.683 -0.636 . . . . 50.0 111.856 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -73.48 -23.88 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.632 -0.667 . . . . 50.0 110.858 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -20.63 61.44 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.068 0.461 . . . . 50.0 109.778 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.92 7.49 39.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 50.0 110.123 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 4.2 88.06 Favored Glycine 0 C--O 1.23 -0.113 0 N-CA-C 114.561 0.584 . . . . 50.0 114.561 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -82.04 161.59 22.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -133.5 64.07 67.17 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.941 -0.475 . . . . 50.0 111.824 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.21 169.02 23.42 Favored 'Trans proline' 0 C--N 1.351 0.676 0 O-C-N 121.867 0.404 . . . . 50.0 112.79 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' A' ' 47' ' ' GLU . 33.1 p -95.22 160.5 14.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.29 -24.46 62.15 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.476 -0.765 . . . . 25.0 111.224 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.82 -39.02 64.37 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 121.234 0.54 . . . . 25.0 109.995 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' H ' ' HG1' ' A' ' 44' ' ' THR . 65.4 tt0 -62.63 -44.04 97.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.16 -0.927 . . . . 50.0 109.144 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.72 -33.37 75.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.992 -0.549 . . . . 50.0 110.318 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -69.84 -40.53 75.76 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.925 0.713 . . . . 50.0 112.925 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -70.1 -31.46 69.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.88 1.218 . . . . 50.0 110.552 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.6 mtt -66.7 -28.08 68.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.102 -0.239 . . . . 50.0 111.276 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.48 -43.13 26.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.2 -32.97 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.4 0.28 . . . . 50.0 111.235 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.31 -25.38 61.83 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.364 0.876 . . . . 50.0 113.364 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.28 -9.88 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.445 0.535 . . . . 50.0 112.445 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -86.31 56.67 4.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.861 0.839 . . . . 50.0 110.853 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -20.53 63.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -89.09 -8.07 54.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.379 0.511 . . . . 50.0 112.379 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.14 16.41 70.87 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 116.15 1.22 . . . . 50.0 116.15 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.97 -1.84 55.42 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.074 1.437 . . . . 50.0 114.139 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.24 -3.17 85.56 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 116.776 1.471 . . . . 50.0 116.776 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -136.7 160.45 38.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.088 0.944 . . . . 25.0 111.015 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.0 mt -88.45 115.39 28.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.041 -1.837 . . . . 50.0 106.041 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -92.04 172.47 8.42 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 107.053 -1.462 . . . . 50.0 107.053 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -54.14 -45.9 98.96 Favored Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 117.296 2.332 . . . . 50.0 117.296 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.32 -22.96 24.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 113.335 -3.976 . . . . 50.0 113.484 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.61 -31.53 57.49 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.248 -1.019 . . . . 50.0 108.248 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.51 -37.3 84.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.88 -39.71 92.86 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.501 -0.555 . . . . 50.0 109.501 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -69.31 -39.5 78.23 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.135 0.493 . . . . 25.0 111.047 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.5 ttp -62.11 -40.14 94.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 50.0 109.487 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm -73.91 -31.2 62.98 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.46 -0.336 . . . . 50.0 110.856 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.31 96.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.293 0.497 . . . . 25.0 111.964 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -68.76 -28.21 66.6 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.213 -0.995 . . . . 50.0 110.895 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -72.74 -28.85 62.88 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.616 -0.677 . . . . 50.0 109.74 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 97.5 mmm -90.63 20.65 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.575 -0.739 . . . . 50.0 110.088 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.8 pttt 47.58 33.18 2.8 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.021 1.86 . . . . 50.0 116.021 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -114.43 47.0 1.28 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.367 0.877 . . . . 50.0 113.367 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -138.04 162.72 33.41 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.27 -38.84 77.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -176.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.4 p -69.02 -25.04 64.29 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.57 0.7 . . . . 50.0 111.339 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -87.21 -18.32 30.58 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.869 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -62.83 -35.21 79.17 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -173.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.69 -39.05 93.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.979 0.895 . . . . 25.0 109.726 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.08 -37.0 58.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -56.31 -44.65 80.12 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.388 0.675 . . . . 50.0 109.613 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -47.15 79.16 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.024 -0.271 . . . . 50.0 110.773 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.57 83.24 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.186 0.517 . . . . 25.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.51 -42.44 82.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.846 -0.427 . . . . 50.0 109.846 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -66.51 -15.83 63.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.732 1.012 . . . . 50.0 113.732 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -60.6 -39.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.456 -1.313 . . . . 50.0 107.456 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -103.29 -35.63 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -81.91 69.45 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.699 -0.852 . . . . 50.0 108.699 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -64.95 -30.24 71.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.051 1.13 . . . . 50.0 114.051 -170.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -91.56 -2.39 57.16 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.92 12.54 68.19 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 116.463 1.345 . . . . 25.0 116.463 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.94 2.03 15.94 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.323 1.601 . . . . 50.0 115.323 -174.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.09 -0.92 73.06 Favored Glycine 0 CA--C 1.516 0.129 0 N-CA-C 115.422 0.929 . . . . 50.0 115.422 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -133.68 139.2 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.074 -0.343 . . . . 50.0 110.074 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -97.54 114.9 35.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.249 -1.76 . . . . 50.0 106.249 172.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.6 p -88.85 162.16 16.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.745 -0.835 . . . . 50.0 108.745 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.85 76.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.92 0.39 . . . . 25.0 110.787 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.13 95.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 25.0 110.682 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.43 -42.05 79.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 50.0 111.0 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.75 -48.57 80.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.332 -0.618 . . . . 50.0 109.332 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -61.44 -34.82 76.04 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.151 0.426 . . . . 50.0 112.151 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -59.73 -49.33 78.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.236 0.541 . . . . 50.0 110.214 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.34 -42.62 96.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.031 -0.531 . . . . 50.0 110.342 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.2 mtp -64.45 -37.31 87.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.822 0.675 . . . . 50.0 112.822 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 m -62.17 -37.39 85.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.997 0.427 . . . . 25.0 110.041 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -72.3 -23.83 61.24 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.829 -0.544 . . . . 25.0 110.752 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.16 -13.43 59.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 75.0 110.036 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.11 51.55 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-N 116.181 -0.463 . . . . 50.0 113.184 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.75 151.26 43.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.113 0.483 . . . . 50.0 111.303 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.81 53.32 2.01 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.087 0.47 . . . . 50.0 111.849 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.14 159.41 34.72 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.693 -0.685 . . . . 50.0 111.282 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.1 p -85.31 171.02 12.22 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.06 -37.07 81.35 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -73.23 -35.2 66.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.823 -0.626 . . . . 75.0 112.152 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -66.82 -36.96 83.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.11 -35.57 53.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.498 -0.556 . . . . 50.0 109.498 176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.25 -41.32 98.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.926 -0.398 . . . . 50.0 109.926 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.75 -33.02 74.73 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.562 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.6 mtp -68.58 -23.73 64.52 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.262 0.467 . . . . 75.0 112.262 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.8 mm -82.07 -40.16 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.085 -0.709 . . . . 50.0 109.085 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -58.52 -32.46 68.87 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.179 1.177 . . . . 50.0 114.179 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -69.01 -10.89 59.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.901 0.334 . . . . 50.0 111.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -121.3 -25.3 5.26 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.61 83.42 4.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.068 1.136 . . . . 50.0 114.068 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.7 mt -68.14 -43.95 84.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.213 -0.903 . . . . 50.0 110.672 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -81.9 -13.31 57.74 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.083 1.142 . . . . 50.0 114.083 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.95 16.88 78.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 116.789 1.476 . . . . 50.0 116.789 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -83.44 -0.13 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.372 1.249 . . . . 50.0 114.372 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 9.87 79.04 Favored Glycine 0 C--O 1.239 0.415 0 C-N-CA 121.412 -0.423 . . . . 50.0 113.496 177.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -137.39 166.83 22.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.217 -0.66 . . . . 50.0 109.217 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -105.39 116.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.005 -1.109 . . . . 50.0 108.005 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -81.3 170.57 15.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.646 -1.612 . . . . 50.0 106.646 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -59.96 -48.19 82.73 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -66.15 -36.01 81.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.454 0.645 . . . . 50.0 111.885 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.76 -36.32 83.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.807 -0.633 . . . . 50.0 110.311 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.41 -37.86 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.255 -0.278 . . . . 50.0 110.285 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.64 -42.17 94.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.378 -0.971 . . . . 50.0 108.378 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.28 -44.02 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.961 -0.462 . . . . 50.0 111.925 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.7 ptm -65.98 -18.82 65.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.105 0.479 . . . . 50.0 111.727 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.0 ttm -75.46 -27.72 59.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.686 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.0 t -111.98 -17.07 12.96 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.824 1.416 . . . . 25.0 114.824 -175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -148.97 140.73 23.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.423 0.556 . . . . 25.0 110.443 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.8 mttt . . . . . 0 C--O 1.256 1.425 0 N-CA-C 103.262 -2.866 . . . . 50.0 103.262 176.639 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 110.577 -0.157 . . . . 25.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.32 162.45 9.9 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.914 -0.773 . . . . 25.0 108.914 170.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -74.71 142.41 44.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.229 0.538 . . . . 50.0 110.556 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.95 139.45 58.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.132 1.16 . . . . 50.0 114.132 -174.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.8 p -125.42 167.21 15.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.086 -2.19 . . . . 25.0 105.086 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.5 -29.11 70.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.455 0.57 . . . . 50.0 110.847 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -64.14 -43.43 95.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.485 0.66 . . . . 50.0 110.748 176.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -67.61 -38.1 83.47 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 120.988 0.423 . . . . 75.0 110.285 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.98 -36.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.87 -0.789 . . . . 50.0 108.87 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.09 85.9 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.835 -0.541 . . . . 25.0 110.32 175.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -61.03 -41.78 97.22 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.423 0.63 . . . . 50.0 110.396 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -67.18 -29.35 69.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.752 -0.593 . . . . 25.0 110.526 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -71.32 -38.08 71.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.197 -0.314 . . . . 50.0 110.445 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.52 -41.1 80.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.462 -0.57 . . . . 50.0 109.462 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.5 81.31 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.985 0.421 . . . . 25.0 110.689 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.26 -43.21 92.01 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.485 -0.561 . . . . 50.0 109.485 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -67.82 -15.31 63.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.651 0.262 . . . . 50.0 111.648 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -85.95 -26.49 25.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.659 0.742 . . . . 50.0 109.65 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -83.45 -40.24 19.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.861 -0.792 . . . . 50.0 108.861 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -72.32 111.57 7.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.568 -1.271 . . . . 50.0 107.568 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -82.15 -17.36 46.61 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.693 0.627 . . . . 75.0 112.693 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.17 -24.87 17.35 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.186 -0.916 . . . . 75.0 110.34 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.11 81.94 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.934 -0.575 . . . . 25.0 114.35 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.77 -22.11 34.39 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.882 1.438 . . . . 50.0 114.882 -174.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.18 -1.44 14.55 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.64 0.616 . . . . 50.0 114.64 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.4 p -133.25 151.44 51.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 117.479 0.64 . . . . 25.0 111.976 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -110.89 127.63 67.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.166 -1.79 . . . . 50.0 106.166 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.594 ' HG1' ' H ' ' A' ' 29' ' ' THR . 10.4 t -112.02 172.17 7.06 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 110.14 -0.319 . . . . 25.0 110.14 -178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.594 ' H ' ' HG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -54.14 -40.24 67.22 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -62.54 -38.74 91.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.134 0.492 . . . . 50.0 111.801 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.17 -44.22 60.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.044 0.45 . . . . 50.0 110.677 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.91 -41.06 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.866 -0.79 . . . . 50.0 108.866 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.69 -33.96 88.64 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-N 115.66 -0.7 . . . . 50.0 113.663 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -63.0 -45.29 93.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -67.36 -45.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.737 0.303 . . . . 50.0 110.435 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mmm -60.47 -44.68 95.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.019 0.438 . . . . 50.0 112.023 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -70.29 -31.67 69.11 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.534 -0.729 . . . . 50.0 111.043 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -63.98 -34.78 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.787 -0.449 . . . . 50.0 109.787 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.09 8.01 11.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.216 -0.447 . . . . 50.0 111.963 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.12 10.98 84.28 Favored Glycine 0 C--O 1.225 -0.433 0 N-CA-C 114.874 0.71 . . . . 50.0 114.874 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -77.62 -3.2 39.69 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 117.764 0.782 . . . . 50.0 111.742 -176.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 31.72 51.72 0.63 Allowed Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 118.186 2.661 . . . . 50.0 118.186 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -82.0 164.84 17.56 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 115.817 -2.322 . . . . 50.0 114.574 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.6 p -96.07 165.46 12.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 171.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -69.66 -18.99 63.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.97 -40.67 60.6 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 110.474 -0.195 . . . . 25.0 110.474 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.21 -40.53 94.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.344 1.069 . . . . 50.0 109.029 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.68 -28.05 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.289 -0.868 . . . . 50.0 110.607 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -72.53 -47.24 49.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 119.296 -0.383 . . . . 50.0 111.489 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 -31.98 70.14 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 119.586 -0.846 . . . . 50.0 111.829 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.98 -27.07 67.14 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.101 -0.375 . . . . 50.0 111.642 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -79.85 -42.19 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.106 -0.702 . . . . 50.0 109.106 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.99 -31.48 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 117.848 0.295 . . . . 50.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.04 -17.05 56.13 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.592 0.96 . . . . 50.0 113.592 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 t -118.56 -25.26 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 120.896 0.379 . . . . 50.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.14 53.94 1.02 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.437 1.273 . . . . 50.0 114.437 -175.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -14.01 62.17 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.063 0.458 . . . . 25.0 112.172 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -85.78 -16.34 39.14 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 123.601 0.76 . . . . 50.0 111.822 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.13 88.78 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 117.86 1.904 . . . . 50.0 117.86 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -1.12 35.08 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.495 1.647 . . . . 50.0 114.909 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.1 -0.49 87.35 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 117.228 1.651 . . . . 50.0 117.228 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.7 p -138.79 168.35 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.791 0.795 . . . . 25.0 111.182 -176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -103.14 103.23 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.304 -1.369 . . . . 50.0 107.304 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.16 171.03 14.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.266 -1.013 . . . . 50.0 108.266 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -53.5 -49.64 87.46 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 114.779 1.4 . . . . 50.0 114.779 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.74 -24.94 54.13 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 114.385 -3.277 . . . . 50.0 114.428 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -78.72 -27.0 44.81 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.817 -0.552 . . . . 50.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.94 -38.03 82.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.656 -1.239 . . . . 50.0 107.656 174.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.37 -40.9 94.14 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.919 -0.582 . . . . 50.0 109.921 174.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -65.02 -36.97 86.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.012 0.434 . . . . 25.0 110.884 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.9 ttp -63.86 -44.7 92.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.177 -0.675 . . . . 50.0 109.177 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.0 mtm -70.5 -28.48 65.0 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.942 -0.303 . . . . 50.0 111.414 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.66 -21.44 64.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.81 0.338 . . . . 25.0 111.269 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -66.69 -25.8 66.72 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.734 -0.604 . . . . 50.0 111.258 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -93.96 -7.6 42.45 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 123.069 0.231 . . . . 50.0 111.521 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.6 mtp -84.77 7.42 20.73 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.429 0.633 . . . . 50.0 110.076 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.32 -171.36 2.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.082 -1.451 . . . . 50.0 107.082 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -74.82 57.35 0.77 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.104 0.562 . . . . 50.0 111.56 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.4 p -137.63 156.69 47.77 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.611 0.764 . . . . 25.0 108.971 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -63.31 143.85 57.45 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.4 p -148.75 163.16 38.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.523 0.934 . . . . 50.0 113.523 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.21 -17.96 65.06 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.241 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.73 -40.6 95.6 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.082 -0.963 . . . . 25.0 111.84 -174.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -30.12 69.22 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.175 -0.61 . . . . 25.0 110.252 -176.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.91 -42.8 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.797 -1.186 . . . . 50.0 107.797 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -66.83 -40.6 88.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 50.0 111.67 177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -39.49 85.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.955 -0.387 . . . . 50.0 109.955 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.51 91.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.52 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -69.26 -15.06 63.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.498 0.925 . . . . 50.0 113.498 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.62 -42.46 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 107.654 -1.239 . . . . 50.0 107.654 172.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -78.43 -47.17 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.147 0.499 . . . . 25.0 109.958 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -84.39 65.42 8.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.014 0.912 . . . . 50.0 109.253 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -66.75 -20.19 65.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.573 0.953 . . . . 50.0 113.573 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -91.44 -4.09 55.97 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.33 23.11 76.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 117.874 1.909 . . . . 25.0 117.874 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.0 -25.95 65.66 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.183 1.491 . . . . 50.0 113.482 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.46 3.61 69.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.477 -1.449 . . . . 50.0 109.477 -167.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -142.74 134.49 26.77 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.478 0.711 . . . . 50.0 111.193 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.83 133.38 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.153 -1.055 . . . . 50.0 108.153 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.5 p -109.74 168.58 9.31 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.238 -0.282 . . . . 50.0 110.238 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.69 79.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.945 0.402 . . . . 25.0 111.532 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.02 71.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.262 0.553 . . . . 25.0 111.504 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -83.46 -42.76 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.083 -0.508 . . . . 50.0 110.619 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.19 -44.06 97.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.191 -0.3 . . . . 50.0 110.191 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.03 66.33 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.73 -0.606 . . . . 50.0 111.59 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -68.07 -42.85 79.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.463 -0.94 . . . . 50.0 108.463 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.05 -45.4 94.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 N-CA-C 108.999 -0.741 . . . . 50.0 108.999 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.2 mtt -62.47 -35.04 78.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.202 0.815 . . . . 50.0 113.202 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.7 m -59.01 -41.23 87.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.66 -25.56 60.33 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.803 0.297 . . . . 25.0 111.803 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -74.32 -19.95 60.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.432 -0.581 . . . . 75.0 109.432 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.47 14.03 24.82 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.124 -0.489 . . . . 50.0 114.07 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.59 163.07 28.15 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.908 0.707 . . . . 50.0 112.908 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.86 37.75 3.24 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 122.132 0.968 . . . . 50.0 109.89 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.71 163.22 24.68 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.217 -1.356 . . . . 50.0 108.298 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.431 ' HG1' ' HB2' ' A' ' 119' ' ' GLU . 81.5 p -92.78 163.17 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -32.85 70.26 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HB2' ' HG1' ' A' ' 117' ' ' THR . 24.4 mt-10 -69.24 -40.63 77.79 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.501 0.72 . . . . 75.0 112.278 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.62 -38.96 90.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.722 0.773 . . . . 50.0 109.402 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.39 -35.31 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.687 -0.688 . . . . 50.0 110.165 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.41 -39.1 93.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.347 0.594 . . . . 50.0 110.303 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.08 -28.88 65.78 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.507 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.0 mtt -72.64 -23.66 60.94 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.706 -0.621 . . . . 75.0 111.656 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.96 -41.64 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.098 -1.445 . . . . 50.0 107.098 171.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -65.84 -31.3 72.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.104 1.52 . . . . 50.0 115.104 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -70.54 -17.87 62.93 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.807 -0.757 . . . . 50.0 111.344 177.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.75 -1.63 29.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.153 0.502 . . . . 25.0 110.502 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -86.93 80.97 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.811 0.815 . . . . 50.0 112.109 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.55 -42.87 90.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.447 -0.797 . . . . 50.0 111.728 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -88.81 -4.97 58.36 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.433 1.272 . . . . 50.0 114.433 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.66 18.77 76.99 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 116.461 1.344 . . . . 50.0 116.461 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -85.91 -2.11 57.95 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.137 1.162 . . . . 50.0 114.137 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.34 8.9 85.7 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 114.529 0.572 . . . . 50.0 114.529 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -136.63 169.86 17.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.285 0.543 . . . . 50.0 109.658 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.1 t -101.33 117.13 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 107.686 -1.227 . . . . 50.0 107.686 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.08 168.05 20.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.571 -1.641 . . . . 50.0 106.571 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.24 -46.2 86.37 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 112.837 0.681 . . . . 50.0 112.837 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.56 -37.64 87.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.484 -0.76 . . . . 50.0 111.509 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.27 -37.88 88.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.593 -0.521 . . . . 50.0 109.593 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.68 -41.17 92.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 50.0 110.986 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.97 -41.27 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.22 -48.03 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.029 -0.42 . . . . 50.0 111.69 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.2 ptm -67.87 -21.13 65.18 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.742 -0.599 . . . . 50.0 111.747 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.3 tpp -70.54 -32.13 69.45 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 122.094 -0.379 . . . . 25.0 111.27 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.5 t -109.86 -15.03 14.19 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.975 1.472 . . . . 25.0 114.975 -174.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -102.88 39.55 1.52 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.375 0.607 . . . . 25.0 109.885 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.6 pttt . . . . . 0 C--O 1.247 0.965 0 CA-C-N 114.822 -1.081 . . . . 50.0 110.03 -178.869 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.597 -0.52 . . . . 25.0 109.597 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -91.05 163.58 14.26 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -137.82 163.73 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tp -72.87 160.37 32.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.281 0.562 . . . . 50.0 110.305 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 -26.02 7.66 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 114.784 1.402 . . . . 25.0 114.784 -175.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.93 -28.3 68.18 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.356 -0.84 . . . . 50.0 110.874 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.62 -43.46 89.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.208 -0.451 . . . . 50.0 110.402 174.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -66.89 -36.12 81.56 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 121.907 -0.495 . . . . 75.0 110.716 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.82 -37.07 78.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.87 85.75 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.111 -0.368 . . . . 25.0 110.393 176.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.17 -46.0 92.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.683 0.754 . . . . 50.0 110.314 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -70.83 -19.13 62.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.711 -0.618 . . . . 25.0 112.272 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -69.17 -40.54 78.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -73.49 -35.9 65.72 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.96 -0.696 . . . . 50.0 109.482 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.05 73.45 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.734 0.302 . . . . 25.0 110.719 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -68.41 -44.17 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -65.98 -22.48 66.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.992 0.425 . . . . 50.0 111.565 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.9 tp -62.72 -36.31 82.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 50.0 109.486 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -89.93 -39.14 13.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.303 -0.862 . . . . 50.0 112.094 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -79.68 80.83 6.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.899 0.856 . . . . 50.0 110.392 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.67 -21.54 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.482 1.289 . . . . 75.0 114.482 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -112.34 0.54 15.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.773 0.657 . . . . 75.0 112.773 -175.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 18.26 75.95 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -80.1 -1.15 38.85 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.091 0.946 . . . . 50.0 113.182 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.09 -0.26 75.43 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.906 0.722 . . . . 50.0 114.906 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -134.86 155.46 50.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 117.148 0.474 . . . . 25.0 111.385 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -108.95 118.26 56.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.726 -1.213 . . . . 50.0 107.726 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.0 p -91.97 168.75 11.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.654 -0.703 . . . . 25.0 109.407 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.2 p -61.98 -31.83 72.23 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.45 -47.89 80.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.424 0.631 . . . . 50.0 109.708 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.2 -40.18 68.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.767 -0.652 . . . . 50.0 112.465 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.32 -43.29 99.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.806 -0.813 . . . . 50.0 108.806 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -34.26 88.78 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 115.841 -0.618 . . . . 50.0 112.764 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -44.95 94.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.399 0.6 . . . . 25.0 109.769 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.62 -42.21 86.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.991 -0.283 . . . . 50.0 110.348 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.6 mtt -62.91 -39.22 93.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.817 -0.552 . . . . 50.0 112.43 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.85 -21.64 60.03 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.683 -0.636 . . . . 50.0 111.37 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -73.38 -26.27 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.036 0.446 . . . . 50.0 109.876 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -90.98 0.8 57.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 50.0 110.716 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.34 0.09 67.93 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 116.624 1.41 . . . . 50.0 116.624 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -79.14 151.74 31.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 118.793 1.297 . . . . 50.0 109.275 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -115.6 60.54 1.6 Allowed Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.016 0.527 . . . . 50.0 112.004 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.66 153.98 49.19 Favored 'Trans proline' 0 C--O 1.25 1.111 0 C-N-CA 115.623 -2.452 . . . . 50.0 114.806 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -82.03 165.69 20.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.782 -1.099 . . . . 25.0 109.022 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -65.68 -32.01 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.957 -0.465 . . . . 25.0 111.202 177.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.52 80.24 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.819 0.342 . . . . 25.0 110.386 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.19 -46.0 89.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.827 0.822 . . . . 50.0 109.598 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.61 -30.0 67.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.323 -0.853 . . . . 50.0 110.755 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.72 -48.51 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.11 -38.33 82.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.746 0.307 . . . . 50.0 111.461 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.86 -29.52 70.7 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.906 0.336 . . . . 50.0 111.906 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.75 -44.42 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.779 -0.452 . . . . 50.0 109.779 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -58.4 -32.53 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 122.628 0.371 . . . . 50.0 110.974 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.38 -17.66 32.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.062 1.504 . . . . 50.0 115.062 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -13.58 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.897 1.073 . . . . 50.0 113.897 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -82.99 59.85 5.13 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.496 0.665 . . . . 50.0 112.491 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.86 67.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.255 0.55 . . . . 25.0 111.832 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -81.18 -18.73 45.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.726 -0.67 . . . . 50.0 111.609 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.48 82.24 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 117.945 1.938 . . . . 50.0 117.945 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -80.34 3.07 22.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.418 1.609 . . . . 50.0 114.545 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.9 3.58 87.8 Favored Glycine 0 C--O 1.239 0.457 0 N-CA-C 115.271 0.868 . . . . 50.0 115.271 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -139.47 164.71 29.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.33 0.565 . . . . 25.0 111.518 -177.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.19 114.01 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 105.987 -1.857 . . . . 50.0 105.987 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.24 174.0 8.09 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.356 -0.979 . . . . 50.0 108.356 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -55.08 -46.63 99.63 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 116.469 2.026 . . . . 50.0 116.469 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.53 -22.22 24.87 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.404 -3.931 . . . . 50.0 113.635 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.83 -31.85 57.18 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.77 -37.47 82.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -61.6 -41.81 97.98 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.8 m -66.78 -38.53 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.614 0.721 . . . . 25.0 111.495 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -62.23 -36.23 81.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.383 0.673 . . . . 50.0 109.787 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.6 mmt -81.0 -37.42 29.22 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.133 -0.355 . . . . 50.0 111.265 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.34 73.36 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -68.92 -2.12 8.96 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.87 0.693 . . . . 50.0 112.87 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -108.8 -13.04 14.84 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 123.126 0.57 . . . . 50.0 110.734 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.8 mmt -82.89 1.36 39.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.531 0.682 . . . . 50.0 109.896 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -90.96 -9.89 44.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.444 -0.798 . . . . 50.0 110.672 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -84.39 159.7 20.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.638 -1.245 . . . . 50.0 107.638 -171.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.6 p -68.55 -2.68 9.43 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 -173.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -76.48 -7.27 54.78 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.4 p -89.1 -179.45 5.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 122.075 0.94 . . . . 50.0 112.601 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -60.73 -13.95 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -29.23 70.33 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.542 -0.724 . . . . 25.0 111.963 -178.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -67.35 -39.31 85.75 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.631 0.729 . . . . 25.0 109.311 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.49 -36.82 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.461 -0.94 . . . . 50.0 108.461 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -66.69 -42.81 85.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.036 -0.415 . . . . 50.0 111.09 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.01 -47.34 86.9 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.875 -0.417 . . . . 50.0 109.875 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.63 82.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.392 . . . . 25.0 111.7 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.89 -40.81 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.013 0.435 . . . . 50.0 109.907 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -70.85 -19.17 62.67 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.73 1.011 . . . . 50.0 113.73 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.15 -37.82 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.293 -1.002 . . . . 50.0 108.293 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -86.17 -45.22 11.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.196 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -84.48 71.96 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.706 0.765 . . . . 50.0 110.635 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -71.54 -15.82 62.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.565 -0.743 . . . . 50.0 111.698 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -72.19 -26.18 61.96 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.98 20.34 77.75 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.76 2.62 56.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.196 1.184 . . . . 50.0 114.196 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.87 3.81 70.19 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 114.786 0.674 . . . . 50.0 114.786 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -139.42 140.96 37.5 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.855 0.328 . . . . 50.0 110.51 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt -99.79 122.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 105.882 -1.896 . . . . 50.0 105.882 172.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.568 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 79.7 p -89.29 164.74 14.8 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.846 0.355 . . . . 50.0 110.084 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.17 76.17 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.38 96.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.202 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.568 ' H ' ' HG ' ' A' ' 101' ' ' SER . 15.4 mt-10 -69.17 -39.8 78.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.452 -0.155 . . . . 50.0 110.736 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.38 -45.1 89.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.415 0.626 . . . . 50.0 109.369 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -59.6 -40.3 87.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.591 -0.731 . . . . 50.0 110.707 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.71 -48.42 79.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 50.0 111.382 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.48 -45.42 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.998 -0.371 . . . . 50.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mtm -64.02 -37.81 88.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.535 0.569 . . . . 50.0 112.535 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 55.9 m -59.84 -38.75 82.95 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.196 -0.315 . . . . 25.0 110.242 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.65 -25.8 61.41 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 122.107 -0.371 . . . . 25.0 111.452 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.2 mt -76.82 -14.66 59.89 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.621 -0.511 . . . . 75.0 109.621 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.46 -8.76 57.02 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 111.887 -0.485 . . . . 50.0 111.887 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.02 148.53 45.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.356 0.598 . . . . 50.0 110.861 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -136.02 56.4 1.82 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.898 -0.592 . . . . 50.0 112.103 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.35 159.94 33.66 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.6 -1.629 . . . . 50.0 106.6 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.8 p -83.5 167.14 17.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.72 -33.73 74.55 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 121.757 0.789 . . . . 50.0 110.504 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.83 -43.5 83.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.165 -0.925 . . . . 75.0 110.923 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -36.17 83.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.475 -0.784 . . . . 50.0 109.251 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.16 -41.19 86.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 N-CA-C 108.614 -0.884 . . . . 50.0 108.614 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.64 -41.89 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.922 0.391 . . . . 50.0 110.801 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.74 -43.46 85.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.289 0.566 . . . . 25.0 110.687 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.7 ttm -64.07 -40.03 95.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.262 0.838 . . . . 75.0 113.262 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.28 -41.32 78.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.496 -0.774 . . . . 50.0 109.171 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -62.1 -30.27 70.9 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.79 1.033 . . . . 50.0 113.79 -175.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.08 -17.21 62.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.143 0.497 . . . . 50.0 111.784 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.83 -20.04 14.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.729 0.3 . . . . 25.0 111.478 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -82.76 81.71 8.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.332 0.864 . . . . 50.0 113.332 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -64.23 -44.48 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.761 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -85.69 -8.27 58.3 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.408 1.262 . . . . 50.0 114.408 -174.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.58 17.54 80.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 116.204 1.242 . . . . 50.0 116.204 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -82.38 0.04 43.75 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.582 1.191 . . . . 50.0 113.706 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.43 5.12 85.3 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.66 -0.305 . . . . 50.0 113.731 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -135.67 166.63 22.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.365 -0.491 . . . . 50.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -101.63 115.18 42.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -77.62 170.42 16.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.889 -1.523 . . . . 50.0 106.889 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -59.83 -43.16 94.7 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.645 -0.659 . . . . 50.0 112.407 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.31 -36.37 79.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.863 0.84 . . . . 50.0 111.147 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.61 -33.67 74.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.388 -0.823 . . . . 50.0 110.358 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.42 -41.54 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.97 -39.86 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.96 -51.28 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.807 -0.558 . . . . 50.0 110.738 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.36 -17.97 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.816 -0.552 . . . . 50.0 112.081 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.38 -37.39 80.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.81 -0.556 . . . . 25.0 109.535 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.2 t -100.98 -25.33 14.11 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.594 1.331 . . . . 25.0 114.594 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.5 137.06 32.65 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt . . . . . 0 C--O 1.252 1.196 0 CA-C-O 115.705 -2.093 . . . . 50.0 105.616 -179.276 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.306 -0.257 . . . . 25.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -89.93 -173.4 3.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.585 -0.895 . . . . 25.0 108.585 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -69.03 163.14 25.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.944 0.402 . . . . 50.0 110.581 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.84 147.51 51.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 50.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 p -79.52 164.75 23.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.11 -27.7 67.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.676 -0.64 . . . . 50.0 111.201 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -65.06 -42.91 93.79 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 109.33 -0.619 . . . . 50.0 109.33 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.7 -40.24 92.06 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.461 0.648 . . . . 75.0 110.181 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.72 -35.82 72.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 108.852 -0.795 . . . . 50.0 108.852 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -39.33 79.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.007 -0.433 . . . . 25.0 110.838 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.85 -43.19 99.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.334 0.588 . . . . 50.0 109.816 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -67.71 -24.9 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.681 -0.637 . . . . 25.0 111.426 177.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.0 -41.15 71.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.189 -0.319 . . . . 50.0 110.547 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.56 -35.28 67.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.852 -0.739 . . . . 50.0 109.351 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.11 74.7 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.004 0.431 . . . . 25.0 110.138 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -67.77 -43.86 78.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.127 -0.358 . . . . 50.0 110.189 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -65.54 -21.32 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.01 -39.91 91.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -88.29 -37.92 15.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.511 -0.768 . . . . 50.0 112.545 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.96 85.94 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.015 0.912 . . . . 50.0 111.204 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -69.91 -24.26 63.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 75.0 112.057 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.09 -27.89 54.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 121.109 -0.236 . . . . 75.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.53 22.99 76.52 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.429 -0.415 . . . . 25.0 112.966 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -102.25 -0.59 32.73 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.233 1.197 . . . . 50.0 114.233 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.98 8.4 61.77 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.724 0.65 . . . . 50.0 114.724 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -130.29 155.8 45.71 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.395 0.597 . . . . 25.0 111.007 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.6 mt -119.27 120.2 63.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 105.134 -2.173 . . . . 50.0 105.134 169.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.503 ' HG1' ' N ' ' A' ' 29' ' ' THR . 8.8 t -109.28 171.03 7.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.503 ' N ' ' HG1' ' A' ' 28' ' ' THR . 6.7 t -55.61 -33.79 64.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -58.83 -45.52 89.81 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.733 0.778 . . . . 50.0 110.544 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.39 -38.82 59.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.491 -0.777 . . . . 50.0 111.332 -175.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.79 -44.87 96.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.1 91.61 Favored Glycine 0 C--O 1.223 -0.564 0 CA-C-N 115.374 -0.83 . . . . 50.0 112.394 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.2 m -64.34 -43.2 95.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.019 -0.695 . . . . 25.0 110.509 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.59 -40.5 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 50.0 110.058 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.7 -40.27 94.43 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.937 -0.477 . . . . 50.0 110.967 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.61 -18.19 61.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.391 -0.818 . . . . 50.0 112.274 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -72.46 -26.91 62.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.703 -0.851 . . . . 50.0 108.703 171.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -92.0 5.28 50.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.895 0.878 . . . . 50.0 110.051 176.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.11 -7.06 68.39 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 114.971 0.748 . . . . 50.0 114.971 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -79.53 128.52 33.48 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.657 -0.868 . . . . 50.0 108.657 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.25 68.19 79.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 50.0 111.387 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.83 172.46 15.3 Favored 'Trans proline' 0 C--O 1.242 0.719 0 O-C-N 121.836 0.387 . . . . 50.0 112.256 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -77.23 166.34 23.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.479 0.657 . . . . 25.0 110.001 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -65.97 -27.51 68.2 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.06 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.443 -0.16 . . . . 25.0 110.618 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.65 -41.33 96.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.917 0.865 . . . . 50.0 108.958 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.14 -34.8 78.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.909 -0.495 . . . . 50.0 110.371 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -67.19 -45.72 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.179 0.437 . . . . 50.0 112.179 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.44 -31.2 69.38 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.313 -0.955 . . . . 50.0 111.398 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 81.2 mtp -69.95 -28.34 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 50.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.6 mm -73.39 -46.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.766 -1.198 . . . . 50.0 107.766 174.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.56 -29.01 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.923 0.489 . . . . 50.0 112.247 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -23.71 51.97 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 50.0 112.748 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.88 -34.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.084 0.468 . . . . 50.0 111.012 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -78.98 63.4 3.65 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.96 0.904 . . . . 50.0 113.429 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.69 67.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.565 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.13 -16.21 53.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.963 0.357 . . . . 50.0 111.963 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 11.5 85.47 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.055 1.982 . . . . 50.0 118.055 173.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -77.21 4.93 9.35 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.473 1.636 . . . . 50.0 114.988 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.15 3.65 88.78 Favored Glycine 0 C--O 1.245 0.803 0 N-CA-C 114.248 0.459 . . . . 50.0 114.248 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.5 p -140.66 166.34 25.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.532 0.682 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -112.65 102.95 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 104.469 -2.419 . . . . 50.0 104.469 175.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -77.18 176.55 8.63 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.37 -0.974 . . . . 50.0 108.37 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -54.55 -47.12 98.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 N-CA-C 115.248 1.573 . . . . 50.0 115.248 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -65.45 -26.85 54.86 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 114.29 -3.34 . . . . 50.0 113.86 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -75.96 -28.93 58.1 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.985 -0.447 . . . . 50.0 110.154 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.27 -37.06 84.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.242 -0.436 . . . . 50.0 109.896 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 m -64.5 -38.06 89.71 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 122.013 -0.43 . . . . 25.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.5 ttp -66.81 -37.14 83.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.793 -0.567 . . . . 50.0 110.218 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 mmt -67.67 -36.74 81.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.427 -0.582 . . . . 50.0 109.427 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.88 78.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.079 -0.388 . . . . 25.0 110.959 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -64.2 -36.26 83.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.316 -0.624 . . . . 50.0 109.316 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -69.67 -22.61 63.42 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 120.677 0.275 . . . . 50.0 111.125 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.53 5.08 11.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.114 0.783 . . . . 50.0 113.114 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' ' 78' ' ' ASP . 5.4 tmtt? -72.64 144.1 47.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.014 -0.674 . . . . 50.0 109.246 177.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.406 ' H ' ' HD3' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -60.24 150.1 31.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.883 -1.053 . . . . 50.0 110.517 178.656 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -158.75 162.82 37.16 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 105.066 -2.198 . . . . 25.0 105.066 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -49.29 -46.77 46.93 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.783 1.401 . . . . 25.0 114.783 -171.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 p -72.14 -30.71 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.752 0.649 . . . . 50.0 112.752 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -91.67 -22.94 19.99 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.823 1.046 . . . . 25.0 113.823 -177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -60.07 -38.37 82.66 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -172.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.9 -43.34 99.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.574 0.702 . . . . 25.0 110.23 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.09 -42.11 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.331 -0.618 . . . . 50.0 109.331 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -65.11 -40.43 94.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.685 0.254 . . . . 50.0 111.685 -178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.49 -46.19 84.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.874 0.369 . . . . 25.0 110.701 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.55 -40.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.58 -0.282 . . . . 50.0 110.514 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -63.78 -25.71 68.3 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.066 0.765 . . . . 50.0 113.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.59 -43.17 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 109.713 -0.477 . . . . 50.0 109.713 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -82.68 -38.69 23.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 25.0 110.91 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -88.1 54.98 3.26 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.134 0.969 . . . . 50.0 109.146 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -2.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 115.264 1.579 . . . . 50.0 115.264 -175.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 p30 -114.93 1.51 14.04 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.41 41.0 86.56 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -83.18 -27.13 30.26 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.545 1.173 . . . . 50.0 111.459 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.1 4.03 69.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.995 -1.642 . . . . 50.0 108.995 -167.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -142.05 137.51 31.11 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 123.797 0.839 . . . . 50.0 110.246 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -96.11 114.22 32.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 N-CA-C 106.728 -1.582 . . . . 50.0 106.728 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.8 p -84.11 164.46 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.705 -0.622 . . . . 50.0 110.407 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.35 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.202 0.525 . . . . 25.0 110.01 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.61 78.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.069 0.461 . . . . 25.0 111.506 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.04 -41.16 64.49 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.114 -0.366 . . . . 50.0 110.88 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.93 -42.46 97.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.933 -1.136 . . . . 50.0 107.933 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -58.07 -37.84 75.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 50.0 111.38 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.58 -46.88 77.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.062 -0.399 . . . . 50.0 110.924 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.64 -45.91 96.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.387 -0.598 . . . . 50.0 109.387 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mtt -59.52 -37.71 79.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.437 0.903 . . . . 50.0 113.437 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.8 m -62.25 -40.0 94.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -72.46 -26.45 61.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.774 0.321 . . . . 25.0 111.141 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.79 -14.03 59.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.03 0.443 . . . . 75.0 110.031 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.81 26.16 35.84 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.245 -0.434 . . . . 50.0 113.212 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 162.9 28.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.441 0.621 . . . . 50.0 111.821 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -131.17 35.57 3.9 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.627 0.727 . . . . 50.0 110.651 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.95 156.28 26.05 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.282 -1.326 . . . . 50.0 109.133 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.4 p -83.87 165.44 18.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 177.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.0 -34.07 77.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.421 -0.585 . . . . 50.0 109.421 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.86 -35.46 74.72 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.395 0.678 . . . . 75.0 111.498 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.09 -37.06 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.353 0.597 . . . . 50.0 110.266 177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.88 -39.17 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.995 -0.742 . . . . 50.0 108.995 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.65 -44.73 92.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.235 0.541 . . . . 50.0 111.591 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.45 -30.44 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.16 -0.616 . . . . 25.0 111.077 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mtp -67.94 -38.5 82.9 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.892 -0.505 . . . . 75.0 111.187 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.55 -39.65 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.4 -22.21 65.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.767 1.395 . . . . 50.0 114.767 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.83 -25.09 63.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 118.023 0.374 . . . . 50.0 111.351 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.99 -15.17 14.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.928 0.394 . . . . 25.0 111.409 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -85.37 78.94 9.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.778 0.799 . . . . 50.0 111.6 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.52 -42.34 94.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.079 -0.964 . . . . 50.0 111.036 -177.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -81.62 -13.79 57.52 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.081 1.141 . . . . 50.0 114.081 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.06 14.36 79.43 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 117.647 1.819 . . . . 50.0 117.647 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.61 -0.04 40.59 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.85 1.325 . . . . 50.0 114.548 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.08 8.3 79.01 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 122.121 -0.362 . . . . 50.0 113.216 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -137.35 167.18 22.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.407 0.623 . . . . 50.0 110.369 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.81 117.23 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 107.4 -1.333 . . . . 50.0 107.4 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.63 171.19 15.47 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.037 -1.468 . . . . 50.0 107.037 -177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -58.91 -46.18 88.52 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.3 -36.99 74.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.661 -0.65 . . . . 50.0 112.318 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.86 -34.54 77.58 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.049 -0.523 . . . . 50.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.229 -0.295 . . . . 50.0 110.788 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.2 -40.84 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.67 -0.863 . . . . 50.0 108.67 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -40.03 95.51 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.971 -0.456 . . . . 50.0 110.356 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 ttt -66.87 -25.81 66.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.413 0.625 . . . . 50.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.9 ttm -80.35 -37.2 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 25.0 111.424 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.4 t -95.8 -11.09 27.43 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.19 167.9 27.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.936 0.398 . . . . 25.0 110.424 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? . . . . . 0 C--O 1.239 0.506 0 N-CA-C 101.168 -3.642 . . . . 50.0 101.168 176.311 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.06 151.98 45.68 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 124.421 1.076 . . . . 25.0 109.916 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -122.31 149.56 43.57 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.662 0.268 . . . . 50.0 110.663 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -36.02 81.33 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.102 0.953 . . . . 50.0 109.132 176.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -66.58 -35.87 81.24 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.892 -0.594 . . . . 25.0 111.126 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -68.78 -35.98 77.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -48.0 82.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 50.0 109.775 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.77 -42.39 97.36 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 120.908 0.385 . . . . 75.0 111.542 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.03 -40.31 85.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.077 -0.712 . . . . 50.0 109.077 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.79 78.82 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.042 0.383 . . . . 25.0 110.914 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.25 -53.78 53.61 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.02 0.914 . . . . 50.0 111.658 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -74.45 -15.64 60.89 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.748 -0.66 . . . . 25.0 112.364 -175.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.35 -46.73 75.78 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.79 -0.569 . . . . 50.0 110.15 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.26 -35.72 73.97 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.102 -0.639 . . . . 50.0 109.423 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.06 69.51 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.246 -0.433 . . . . 25.0 111.026 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.88 -45.95 55.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.773 -0.579 . . . . 50.0 110.078 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -69.01 -15.11 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.366 0.603 . . . . 50.0 111.964 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.91 -39.8 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.06 -1.089 . . . . 50.0 108.06 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.85 -45.71 8.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.348 -0.842 . . . . 50.0 112.798 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.93 93.18 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.652 0.739 . . . . 50.0 111.5 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -81.2 -22.73 38.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.711 -0.677 . . . . 75.0 111.276 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -75.92 -27.61 57.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.784 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.86 23.77 71.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.176 -0.769 . . . . 25.0 111.176 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -96.22 -2.46 46.12 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.889 1.07 . . . . 50.0 113.889 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.81 6.51 72.45 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 114.921 0.728 . . . . 50.0 114.921 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.3 p -135.96 152.33 50.86 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.261 0.531 . . . . 25.0 111.897 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.35 122.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -104.51 168.27 9.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.45 67.41 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -37.99 87.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.908 -0.495 . . . . 50.0 111.348 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.78 -44.25 67.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.947 0.403 . . . . 50.0 110.725 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.43 -44.25 92.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.878 0.847 . . . . 50.0 108.815 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.57 -28.93 74.11 Favored Glycine 0 CA--C 1.509 -0.307 0 CA-C-N 115.237 -0.892 . . . . 50.0 114.665 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.2 m -66.14 -41.61 90.18 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.81 -40.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.048 -0.407 . . . . 50.0 110.288 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -57.59 -43.95 85.02 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.809 -0.356 . . . . 50.0 111.472 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.63 -17.97 57.22 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.124 0.787 . . . . 50.0 113.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -72.73 -24.23 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.811 -0.811 . . . . 50.0 108.811 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mt -91.73 8.94 34.66 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 50.0 110.639 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 4.24 90.39 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 115.436 0.934 . . . . 50.0 115.436 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -85.87 158.02 20.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.898 -0.778 . . . . 50.0 108.898 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -129.54 60.52 51.91 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 113.61 0.966 . . . . 50.0 113.61 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.93 156.46 34.52 Favored 'Trans proline' 0 C--O 1.242 0.721 0 C-N-CA 117.773 -1.018 . . . . 50.0 113.305 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -82.09 162.77 22.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -73.2 -18.95 61.2 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 120.668 -1.27 . . . . 25.0 113.04 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.39 -37.58 56.96 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -66.25 -40.32 90.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.123 0.964 . . . . 50.0 108.714 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.19 -27.88 67.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.799 -0.637 . . . . 50.0 110.744 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -73.6 -36.47 65.52 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 119.088 -0.482 . . . . 50.0 111.645 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.26 -27.63 64.59 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.343 0.974 . . . . 50.0 110.723 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.84 -27.54 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 50.0 110.745 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -83.68 -43.53 18.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 109.515 -0.55 . . . . 50.0 109.515 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.07 -31.82 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 122.458 0.303 . . . . 50.0 110.754 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.12 -17.0 56.43 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.64 0.978 . . . . 50.0 113.64 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -23.36 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.529 0.566 . . . . 50.0 112.529 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -79.84 55.92 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.902 0.881 . . . . 50.0 112.782 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.6 -19.87 65.87 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.305 0.574 . . . . 25.0 110.857 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.12 -20.35 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.635 -0.711 . . . . 50.0 111.438 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.82 10.62 84.87 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 118.394 2.117 . . . . 50.0 118.394 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -79.89 0.68 30.16 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.048 1.924 . . . . 50.0 114.59 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.71 3.03 84.03 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 116.053 1.181 . . . . 50.0 116.053 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 p -140.17 165.38 27.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.76 0.78 . . . . 25.0 111.488 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -96.34 112.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 105.593 -2.003 . . . . 50.0 105.593 170.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.85 169.12 13.63 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -56.66 -47.22 99.39 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.701 1.741 . . . . 50.0 115.701 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -69.41 -21.27 35.36 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 114.096 -3.469 . . . . 50.0 113.643 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -77.59 -30.1 52.33 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.513 -0.551 . . . . 50.0 109.513 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.53 -40.91 89.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.283 -1.006 . . . . 50.0 108.283 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.17 -41.08 99.18 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.759 -0.655 . . . . 50.0 109.762 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -66.01 -38.24 87.94 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.901 0.382 . . . . 25.0 111.192 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.4 ttt -60.18 -41.04 92.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 50.0 109.505 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.88 -41.51 67.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 50.0 110.565 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.17 73.97 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -64.76 -30.79 71.81 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.941 -0.474 . . . . 50.0 111.288 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -84.12 -22.65 31.0 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.278 0.231 . . . . 50.0 110.926 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 27.7 mmt -102.31 15.34 29.43 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 122.88 0.472 . . . . 50.0 110.351 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -74.93 122.72 23.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.909 -0.774 . . . . 50.0 108.909 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -62.63 152.13 36.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.647 0.737 . . . . 50.0 112.081 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -91.07 14.91 12.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.261 0.553 . . . . 25.0 110.12 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -74.76 4.14 6.83 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 p -59.57 136.15 57.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.034 0.445 . . . . 50.0 109.935 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -57.48 -14.43 5.0 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 115.296 1.591 . . . . 25.0 115.296 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.94 -40.65 73.49 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.068 -0.395 . . . . 25.0 111.719 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -33.54 67.36 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.034 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.59 -39.22 83.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 107.982 -1.118 . . . . 50.0 107.982 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 50.0 110.281 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.33 -46.31 80.75 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.209 -0.307 . . . . 50.0 110.688 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.56 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 25.0 110.648 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.5 -43.86 96.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.729 -0.471 . . . . 50.0 109.729 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -69.09 -15.18 63.38 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.487 1.291 . . . . 50.0 114.487 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.35 -39.65 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.0 -1.111 . . . . 50.0 108.0 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -92.09 -35.5 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -94.98 49.83 1.25 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.741 0.781 . . . . 50.0 110.862 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -12.94 61.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 50.0 111.581 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.91 -14.05 48.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 25.0 110.498 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.24 25.61 75.19 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 118.021 1.968 . . . . 25.0 118.021 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.28 -1.69 57.95 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.101 1.45 . . . . 50.0 113.926 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.47 4.22 68.34 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.912 0.725 . . . . 50.0 114.912 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.51 146.22 41.71 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.708 0.254 . . . . 50.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.85 115.05 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.18 -1.415 . . . . 50.0 107.18 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -92.77 161.95 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.879 -0.728 . . . . 50.0 109.309 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.69 -39.46 80.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.389 0.614 . . . . 25.0 110.095 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -30.06 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.09 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -81.03 -42.09 21.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.761 -0.2 . . . . 50.0 110.754 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.738 -0.21 . . . . 50.0 110.612 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -27.27 68.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.729 -0.388 . . . . 50.0 111.385 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -69.36 -42.96 74.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.249 -0.58 . . . . 50.0 110.066 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.92 -43.03 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.895 -0.78 . . . . 50.0 108.895 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 26.3 mtt -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.487 0.551 . . . . 50.0 112.487 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -63.19 -38.29 90.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.736 0.303 . . . . 25.0 110.271 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.4 -28.87 64.31 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.96 -0.462 . . . . 25.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.11 -24.06 47.64 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.841 0.456 . . . . 75.0 111.466 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.01 36.78 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.442 -0.408 . . . . 50.0 112.099 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.36 159.64 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.038 0.447 . . . . 50.0 110.289 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.62 64.34 0.9 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 50.0 112.023 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.1 mt -120.83 163.19 18.54 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 105.072 -2.195 . . . . 50.0 105.072 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.5 p -98.99 171.3 8.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.01 -32.89 73.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.62 -38.54 73.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.392 -0.367 . . . . 75.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.69 -38.99 93.18 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.894 0.854 . . . . 50.0 109.186 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.62 -42.02 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.6 -0.727 . . . . 50.0 109.824 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.49 -41.01 96.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.823 -0.171 . . . . 50.0 111.361 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.32 -44.07 92.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.976 0.417 . . . . 25.0 110.826 176.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttp -64.1 -40.91 97.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.236 0.541 . . . . 75.0 112.241 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.4 mm -67.13 -40.27 84.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.418 -1.265 . . . . 50.0 107.638 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -61.8 -31.07 71.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.579 0.955 . . . . 50.0 113.579 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -69.1 -25.33 64.36 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.279 -0.568 . . . . 50.0 111.992 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -97.58 -14.08 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 25.0 111.426 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -85.76 78.86 9.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.791 0.805 . . . . 50.0 111.869 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.17 -41.44 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.34 -0.846 . . . . 50.0 111.737 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -83.36 -11.14 57.97 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.495 1.294 . . . . 50.0 114.495 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.41 18.66 75.6 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 117.07 1.588 . . . . 50.0 117.07 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.97 0.0 54.35 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.562 1.319 . . . . 50.0 114.562 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.77 7.72 74.37 Favored Glycine 0 C--O 1.244 0.733 0 O-C-N 122.181 -0.325 . . . . 50.0 113.372 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -137.58 163.78 30.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.135 0.493 . . . . 50.0 110.657 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.93 116.99 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 106.881 -1.525 . . . . 50.0 106.881 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.25 162.3 28.06 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 104.764 -2.31 . . . . 50.0 104.764 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.0 -36.73 77.84 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.293 -0.88 . . . . 50.0 110.855 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.87 -45.78 90.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.273 0.559 . . . . 50.0 111.699 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.48 -34.92 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.912 -0.585 . . . . 50.0 110.83 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.46 -39.08 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.048 0.451 . . . . 50.0 110.706 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -74.44 -39.46 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.392 -0.596 . . . . 50.0 109.392 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -59.33 -47.14 86.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.017 -0.427 . . . . 50.0 111.495 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 ptm -70.56 -20.84 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 50.0 111.444 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.6 ttm -80.83 -36.85 31.01 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.9 t -138.49 9.51 2.68 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.401 2.0 . . . . 25.0 116.401 -172.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -131.92 -172.95 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.506 -0.746 . . . . 25.0 111.023 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 mttm . . . . . 0 C--O 1.241 0.636 0 N-CA-C 103.998 -2.593 . . . . 50.0 103.998 178.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 118.756 -0.64 . . . . 25.0 109.55 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 57.45 33.07 22.77 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.469 1.128 . . . . 25.0 111.096 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -91.7 153.06 19.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.381 -1.281 . . . . 50.0 110.395 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.7 147.78 41.13 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.846 -1.168 . . . . 50.0 107.846 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -24.26 67.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.994 -0.441 . . . . 25.0 111.77 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.55 -19.93 65.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.865 -0.522 . . . . 50.0 112.337 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -69.78 -37.93 76.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.63 -0.507 . . . . 50.0 109.63 177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -73.8 -34.05 64.46 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.971 -0.456 . . . . 75.0 110.326 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.94 -35.5 68.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 107.916 -1.142 . . . . 50.0 107.916 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.14 86.15 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.736 -0.603 . . . . 25.0 111.39 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.4 -44.35 96.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.643 0.735 . . . . 50.0 109.645 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -69.98 -22.55 63.13 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.431 -0.793 . . . . 25.0 111.965 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -71.02 -35.19 71.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.91 -38.1 72.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.65 70.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.855 0.36 . . . . 25.0 110.967 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.83 -44.57 69.68 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -67.84 -17.84 64.63 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.146 0.425 . . . . 50.0 112.146 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.84 -23.7 67.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.328 0.585 . . . . 50.0 109.548 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -104.1 -44.43 4.99 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.754 -0.657 . . . . 50.0 110.322 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.9 82.08 8.49 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.053 0.941 . . . . 50.0 109.392 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.78 -30.34 71.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.772 1.397 . . . . 75.0 114.772 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -89.04 -10.1 48.77 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 120.29 -0.564 . . . . 75.0 112.189 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.59 15.83 79.18 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 176.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -77.62 -4.93 48.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 1.268 . . . . 50.0 113.861 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.96 -1.15 60.96 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 114.151 0.42 . . . . 50.0 114.151 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -136.17 132.86 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.175 0.512 . . . . 25.0 111.71 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.6 mt -85.53 113.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 104.359 -2.46 . . . . 50.0 104.359 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -90.43 167.63 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.8 t -62.13 -28.98 70.02 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.134 0.492 . . . . 25.0 109.947 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.33 -42.38 96.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.535 0.683 . . . . 50.0 110.325 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -75.66 -35.79 60.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 50.0 111.433 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.45 -43.92 96.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.7 -35.17 89.15 Favored Glycine 0 C--O 1.217 -0.948 0 CA-C-N 115.115 -0.948 . . . . 50.0 111.998 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -63.94 -42.77 97.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.745 -0.856 . . . . 25.0 110.182 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -69.74 -38.28 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 50.0 110.257 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 mmt -64.3 -35.47 80.97 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.807 -0.558 . . . . 50.0 111.763 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -75.28 -16.59 60.43 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 112.478 0.547 . . . . 50.0 112.478 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 t -70.77 -24.78 62.66 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.555 -0.906 . . . . 50.0 108.555 171.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.97 -14.06 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.482 -0.781 . . . . 50.0 109.619 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.78 -6.13 56.95 Favored Glycine 0 C--O 1.217 -0.928 0 CA-C-N 115.625 -0.716 . . . . 50.0 114.375 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -64.55 141.7 58.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.683 0.994 . . . . 50.0 113.683 -174.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -122.64 69.18 33.63 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 108.505 -0.924 . . . . 50.0 108.505 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -79.3 166.24 22.66 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 118.338 -0.641 . . . . 50.0 111.772 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 p -77.51 165.68 24.03 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.35 -24.46 62.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.788 -1.195 . . . . 25.0 111.579 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.66 65.76 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.82 -28.89 69.87 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.917 -1.038 . . . . 50.0 110.035 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 mt -79.68 -33.35 41.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.457 -0.777 . . . . 50.0 110.768 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.08 -39.29 79.15 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 112.713 0.634 . . . . 50.0 112.713 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.906 1.23 . . . . 50.0 110.865 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.3 mtt -67.08 -27.45 67.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.395 0.616 . . . . 50.0 110.674 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.4 mt -81.27 -45.24 20.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.99 -30.93 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.466 0.543 . . . . 50.0 112.466 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.57 -17.81 56.62 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.929 0.714 . . . . 50.0 112.929 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.99 -23.3 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 112.008 0.373 . . . . 50.0 112.008 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -80.34 67.78 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.967 0.889 . . . . 50.0 112.486 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.5 -25.26 67.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 25.0 113.197 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -87.81 -7.87 56.69 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.488 0.551 . . . . 50.0 112.488 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.87 16.61 76.45 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 117.424 1.73 . . . . 50.0 117.424 174.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -84.61 -0.16 52.3 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.773 1.397 . . . . 50.0 114.773 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.41 75.67 Favored Glycine 0 C--O 1.242 0.653 0 N-CA-C 115.792 1.077 . . . . 50.0 115.792 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -139.03 153.16 48.07 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.771 0.785 . . . . 25.0 111.411 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.8 mt -91.62 103.16 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 106.864 -1.532 . . . . 50.0 106.864 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.26 178.65 5.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -51.57 -44.35 89.46 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 117.349 2.352 . . . . 50.0 117.349 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -71.24 -25.03 22.54 Favored 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 113.023 -4.184 . . . . 50.0 113.586 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -82.2 -26.77 33.04 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.222 0.534 . . . . 50.0 109.693 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.19 -37.29 86.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 50.0 108.415 171.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.45 -41.0 96.78 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.867 -0.42 . . . . 50.0 109.867 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -63.9 -40.26 96.08 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.23 0.538 . . . . 25.0 110.828 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.9 ttp -61.13 -37.79 84.07 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.713 0.405 . . . . 50.0 110.538 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.3 mmt -77.58 -34.66 53.51 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.854 -0.339 . . . . 50.0 110.876 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.52 95.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -67.09 -23.61 65.87 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.778 -0.769 . . . . 50.0 111.03 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -85.81 6.2 29.14 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.857 0.317 . . . . 50.0 111.857 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.5 mtt -96.48 8.66 43.54 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 173.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -108.23 -145.23 0.39 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 107.333 -1.358 . . . . 50.0 107.333 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.25 164.45 11.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.662 -0.866 . . . . 50.0 108.662 171.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -68.49 -0.74 5.36 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.488 1.662 . . . . 25.0 115.488 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -56.46 96.96 0.02 OUTLIER 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.822 0.82 . . . . 25.0 112.791 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 p -164.4 165.41 21.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.003 -1.851 . . . . 50.0 106.003 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 13.9 mp0 -66.08 -19.09 65.73 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 121.196 0.522 . . . . 25.0 110.635 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -58.08 -37.84 75.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.217 1.191 . . . . 25.0 114.217 -175.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -75.15 -33.94 61.56 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.622 -0.831 . . . . 25.0 109.154 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.7 -39.64 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.339 -0.985 . . . . 50.0 108.339 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -59.53 -41.68 90.57 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.261 -0.427 . . . . 50.0 110.526 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.56 -38.75 81.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.984 -0.448 . . . . 50.0 111.507 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.95 82.31 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.305 0.574 . . . . 25.0 110.072 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.64 -36.33 82.3 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.986 -0.446 . . . . 50.0 110.96 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -64.49 -19.45 65.59 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.276 0.843 . . . . 50.0 113.276 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.14 -28.37 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.148 -0.686 . . . . 50.0 109.148 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.54 -45.84 3.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -81.32 78.03 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 50.0 111.273 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -103.36 -1.0 29.36 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.254 -0.885 . . . . 50.0 112.36 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.28 -7.01 36.57 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.46 26.42 74.55 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 116.706 1.442 . . . . 25.0 116.706 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.7 -1.42 55.2 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.731 1.266 . . . . 50.0 114.128 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.68 -2.98 77.83 Favored Glycine 0 CA--C 1.509 -0.326 0 N-CA-C 117.513 1.765 . . . . 50.0 117.513 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -139.78 165.34 27.54 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.303 -0.999 . . . . 50.0 108.303 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 mt -108.35 115.03 48.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.484 -1.673 . . . . 50.0 106.484 172.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -105.46 165.93 10.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.954 -0.466 . . . . 50.0 110.629 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.58 89.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.698 0.285 . . . . 25.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.82 69.93 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.008 -0.542 . . . . 25.0 112.006 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -86.25 -41.39 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.038 0.447 . . . . 50.0 110.164 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.7 tp -65.31 -37.65 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.15 -0.344 . . . . 50.0 110.435 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -23.27 65.39 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 121.592 -0.692 . . . . 50.0 111.367 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -69.4 -42.79 74.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.326 -0.99 . . . . 50.0 108.326 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.53 -45.59 93.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.463 -0.94 . . . . 50.0 108.463 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mtp -65.68 -38.37 89.09 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.927 0.714 . . . . 50.0 112.927 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.1 m -58.19 -41.52 84.12 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.038 0.447 . . . . 25.0 110.11 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.88 -26.62 60.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.747 -0.66 . . . . 25.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -33.14 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.381 -0.6 . . . . 75.0 109.381 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.51 -26.9 2.25 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 115.119 0.807 . . . . 50.0 115.119 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -94.49 146.37 24.14 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.576 0.954 . . . . 50.0 113.576 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -126.3 75.46 1.53 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.726 0.774 . . . . 50.0 110.681 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.53 164.68 23.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.521 -1.218 . . . . 50.0 109.019 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.0 p -77.18 163.91 26.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -39.63 84.93 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 108.584 -0.895 . . . . 50.0 108.584 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -66.3 -36.37 82.77 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.48 0.918 . . . . 75.0 113.48 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.82 -36.08 82.73 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.073 0.939 . . . . 50.0 109.424 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -83.27 -31.32 8.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.381 -0.827 . . . . 50.0 110.187 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -66.16 -37.63 86.11 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 109.26 -0.645 . . . . 50.0 109.26 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.38 -35.34 78.88 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.658 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -68.23 -36.58 79.73 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.928 -0.482 . . . . 75.0 111.541 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.8 mm -65.61 -40.37 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.381 -0.6 . . . . 50.0 109.381 177.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.3 -28.67 69.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.229 1.196 . . . . 50.0 114.229 -175.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -67.46 -17.05 64.55 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 111.627 0.232 . . . . 50.0 111.627 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.98 -2.06 12.94 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.904 0.383 . . . . 25.0 110.765 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.34 80.62 7.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.669 0.747 . . . . 50.0 111.106 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.86 -43.15 93.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.776 -0.647 . . . . 50.0 112.252 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -86.41 -9.84 55.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.389 1.255 . . . . 50.0 114.389 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.99 20.28 63.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 117.507 1.763 . . . . 50.0 117.507 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -1.37 57.03 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.742 1.271 . . . . 50.0 114.348 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 8.29 71.65 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 121.447 -0.406 . . . . 50.0 113.766 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -141.53 169.42 17.63 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.312 -0.522 . . . . 50.0 110.186 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.4 t -100.68 120.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -81.75 173.41 12.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.838 -1.171 . . . . 50.0 107.838 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.1 -42.75 93.75 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.805 -0.559 . . . . 50.0 110.45 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.85 -44.14 94.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.027 0.918 . . . . 50.0 111.487 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.08 -32.61 73.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.581 -0.736 . . . . 50.0 110.688 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.1 -38.09 89.6 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.998 -0.546 . . . . 50.0 109.766 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.41 -42.05 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.559 -0.713 . . . . 50.0 109.356 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.257 -0.277 . . . . 50.0 110.377 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 65.6 ttp -71.52 -40.2 70.26 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 120.842 0.354 . . . . 50.0 110.986 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 28.6 ttt -68.25 -35.55 78.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.6 t -77.76 -7.59 56.78 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.368 0.604 . . . . 25.0 110.3 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.69 6.95 43.88 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.93 -0.481 . . . . 25.0 111.308 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 13.3 tttt . . . . . 0 C--O 1.249 1.027 0 O-C-N 124.497 1.123 . . . . 50.0 112.386 176.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -75.35 168.95 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.439 0.637 . . . . 25.0 112.546 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.1 139.0 56.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.625 -0.716 . . . . 50.0 109.895 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.98 136.44 55.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 50.0 110.673 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -102.52 165.03 11.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -65.64 -29.15 69.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.06 -0.4 . . . . 50.0 110.431 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.47 -42.7 95.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.728 0.775 . . . . 50.0 109.512 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.83 -39.93 79.72 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 115.634 -0.712 . . . . 75.0 110.5 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.13 -37.58 73.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.422 -0.585 . . . . 50.0 109.422 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.47 86.4 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.037 -0.414 . . . . 25.0 110.62 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.75 -39.98 93.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.209 0.528 . . . . 50.0 110.025 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -70.84 -24.1 62.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.822 -0.549 . . . . 25.0 111.515 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -69.38 -41.26 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.802 -0.814 . . . . 50.0 108.802 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -71.32 -36.12 71.47 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.011 -0.675 . . . . 50.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.84 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 25.0 110.046 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -65.38 -42.84 92.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.595 -0.52 . . . . 50.0 109.595 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -65.89 -20.72 66.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.538 . . . . 50.0 112.017 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.13 -40.56 94.6 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.8 -38.12 23.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.879 -0.6 . . . . 50.0 112.539 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.3 95.9 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.653 0.74 . . . . 50.0 110.754 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.98 -21.73 43.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.108 1.151 . . . . 75.0 114.108 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -105.12 -13.25 15.78 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.759 0.651 . . . . 75.0 112.759 -175.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.84 15.92 76.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 115.896 1.118 . . . . 25.0 115.896 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 p30 -80.22 -2.18 43.8 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.899 1.074 . . . . 50.0 113.899 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.74 10.36 70.02 Favored Glycine 0 C--O 1.239 0.433 0 C-N-CA 121.289 -0.482 . . . . 50.0 113.787 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -134.73 152.88 52.1 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.833 0.453 . . . . 25.0 111.934 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.78 118.48 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.633 -1.247 . . . . 50.0 107.633 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -87.75 164.74 15.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -58.24 -35.84 72.31 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.514 0.673 . . . . 25.0 109.585 174.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.04 -44.43 97.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 50.0 111.441 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -70.01 -41.66 74.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.75 0.309 . . . . 50.0 111.358 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.16 -45.21 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.779 0.8 . . . . 50.0 109.144 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -32.7 85.09 Favored Glycine 0 C--O 1.219 -0.789 0 CA-C-N 114.947 -1.024 . . . . 50.0 112.999 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.7 m -61.84 -43.5 98.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.693 0.746 . . . . 25.0 109.43 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.41 -43.96 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 50.0 110.498 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -62.97 -40.6 98.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.921 -0.487 . . . . 50.0 111.877 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -69.99 -26.24 63.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.67 -0.644 . . . . 50.0 111.236 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 t -71.73 -27.36 62.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 50.0 109.754 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.03 3.58 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.414 0.686 . . . . 50.0 110.418 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.98 89.08 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 114.825 0.69 . . . . 50.0 114.825 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -78.72 151.57 32.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.97 -1.122 . . . . 50.0 107.97 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -115.09 46.28 0.42 Allowed Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 118.886 2.921 . . . . 50.0 118.886 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.16 164.62 19.54 Favored 'Trans proline' 0 C--O 1.246 0.901 0 C-N-CA 116.7 -1.733 . . . . 50.0 113.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 t -100.22 162.14 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 173.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.77 -29.73 70.72 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.07 -31.71 70.66 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.19 -34.61 78.43 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 122.587 1.184 . . . . 50.0 108.62 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HB2' ' HG1' ' A' ' 29' ' ' THR . 63.3 mt -76.69 -28.35 55.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.148 -0.933 . . . . 50.0 110.28 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.4 -37.77 86.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 119.208 -0.425 . . . . 50.0 111.379 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.78 -29.01 65.1 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.282 0.946 . . . . 50.0 111.098 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.3 mtt -68.26 -29.9 68.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.123 0.487 . . . . 50.0 110.326 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.1 mt -77.06 -48.07 25.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 N-CA-C 108.952 -0.758 . . . . 50.0 108.952 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.2 mt -54.89 -33.42 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.02 -20.07 55.95 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.037 1.125 . . . . 50.0 114.037 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.33 -7.02 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 112.401 0.519 . . . . 50.0 112.401 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.41 59.09 4.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.761 0.791 . . . . 50.0 111.962 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -17.32 63.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -87.52 -10.79 50.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.58 0.585 . . . . 50.0 112.58 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.88 14.54 75.81 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.218 0.847 . . . . 50.0 115.218 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.808 1.41 . . . . 50.0 114.808 -174.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.9 10.64 85.43 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 116.503 1.361 . . . . 50.0 116.503 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.8 p -139.94 153.22 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.778 0.789 . . . . 25.0 110.672 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.14 104.06 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 106.822 -1.547 . . . . 50.0 106.822 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.59 165.19 25.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.978 -1.49 . . . . 50.0 106.978 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.03 -45.02 99.8 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 114.164 1.172 . . . . 50.0 114.164 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.02 -24.23 67.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 114.307 -3.329 . . . . 50.0 114.707 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.64 -31.01 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.659 -0.651 . . . . 50.0 109.458 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -66.38 -39.28 88.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.481 -0.933 . . . . 50.0 108.481 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.01 -33.99 76.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.711 -0.677 . . . . 50.0 110.496 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 m -69.78 -34.76 74.18 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.067 -0.396 . . . . 25.0 110.67 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.8 ttm -64.64 -38.06 89.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.887 -0.783 . . . . 50.0 108.887 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 tpp -68.85 -38.2 79.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.986 -0.552 . . . . 50.0 111.002 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.16 86.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.873 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -67.86 -29.19 68.26 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 119.18 -1.008 . . . . 50.0 109.975 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -78.21 -0.54 28.89 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.122 0.786 . . . . 50.0 113.122 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 99.3 mtp -67.79 -25.02 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.927 -0.483 . . . . 50.0 110.071 175.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.7 124.31 35.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 104.494 -2.41 . . . . 50.0 104.494 170.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.08 -18.2 64.15 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.426 0.899 . . . . 50.0 113.426 -170.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 t -71.64 -9.46 58.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.7 10.65 38.48 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.6 p -123.5 160.64 26.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 123.049 1.404 . . . . 50.0 114.602 -174.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -69.92 -17.89 63.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 112.764 -2.016 . . . . 25.0 111.661 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.71 -27.97 13.48 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -64.29 -45.06 89.67 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.737 0.699 . . . . 25.0 110.645 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt -66.3 -37.3 79.39 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.659 0 CA-C-O 123.681 1.705 . . . . 50.0 109.514 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -62.18 -40.54 96.36 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 120.656 -1.278 . . . . 50.0 111.637 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.12 -32.31 64.85 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.806 -1.184 . . . . 50.0 110.55 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.27 83.61 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.858 0.837 . . . . 25.0 108.78 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -69.41 -38.53 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.674 -0.694 . . . . 50.0 110.358 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.08 -16.67 62.26 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.892 1.071 . . . . 50.0 113.892 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.45 -37.43 69.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.38 -46.5 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -82.57 81.42 8.37 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.691 0.758 . . . . 50.0 109.14 177.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.3 -35.11 77.34 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.75 0.648 . . . . 50.0 112.75 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.77 -24.66 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.998 -0.281 . . . . 25.0 111.578 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.43 21.32 64.76 Favored Glycine 0 C--O 1.228 -0.277 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -75.87 0.88 16.64 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.39 1.095 . . . . 50.0 113.698 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.32 6.99 58.5 Favored Glycine 0 C--O 1.235 0.17 0 C-N-CA 121.512 -0.375 . . . . 50.0 112.831 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -141.56 136.36 31.02 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.871 0.367 . . . . 50.0 111.728 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.5 106.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 105.752 -1.944 . . . . 50.0 105.752 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.466 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 68.7 p -75.78 162.51 28.12 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.847 -0.741 . . . . 50.0 109.382 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.92 74.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.88 92.79 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.352 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' H ' ' HG ' ' A' ' 101' ' ' SER . 21.8 mt-10 -68.33 -41.77 80.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.262 -0.274 . . . . 50.0 110.528 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.53 -43.9 92.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.96 79.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 50.0 110.649 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.05 -45.98 89.67 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.206 -0.308 . . . . 50.0 111.02 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.26 -46.0 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 121.174 0.511 . . . . 50.0 109.744 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.5 mtt -63.81 -39.12 93.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.897 . . . . 50.0 113.423 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.1 m -61.13 -40.49 94.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.476 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -72.03 -24.49 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.82 0.343 . . . . 25.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -77.65 -14.43 59.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 75.0 110.489 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.25 20.8 56.47 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 121.262 -0.495 . . . . 50.0 111.934 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.23 158.66 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.352 0.596 . . . . 50.0 110.257 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -124.84 37.96 4.29 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.717 0.77 . . . . 50.0 111.198 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.07 155.26 17.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.942 -1.481 . . . . 50.0 107.877 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -87.11 165.44 15.76 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.28 -37.02 76.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 50.0 110.637 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -70.53 -33.48 71.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.528 -0.306 . . . . 75.0 111.49 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.78 -34.87 78.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 50.0 110.545 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.52 -40.3 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 108.804 -0.813 . . . . 50.0 108.804 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.91 -37.93 89.27 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.071 -0.513 . . . . 50.0 110.713 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.45 -37.52 78.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.985 0.421 . . . . 25.0 110.781 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.58 81.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.98 -0.45 . . . . 75.0 111.005 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.32 -42.15 87.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -57.1 -32.27 66.13 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.642 0.608 . . . . 50.0 112.642 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.12 -13.07 59.49 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.514 0.931 . . . . 50.0 113.514 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.34 -0.91 5.68 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.85 76.81 9.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.787 0.803 . . . . 50.0 111.564 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.9 -42.28 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.461 -0.79 . . . . 50.0 111.853 -175.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -88.64 -2.57 58.66 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.046 1.128 . . . . 50.0 114.046 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.51 21.79 78.68 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 116.62 1.408 . . . . 50.0 116.62 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -87.53 2.73 49.91 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.029 1.492 . . . . 50.0 115.029 -176.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.49 10.63 81.56 Favored Glycine 0 C--O 1.243 0.697 0 CA-C-O 121.537 0.521 . . . . 50.0 113.307 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.15 166.91 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.72 -0.474 . . . . 50.0 109.72 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.92 116.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 106.073 -1.825 . . . . 50.0 106.073 172.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -74.71 168.07 20.56 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.557 -1.645 . . . . 50.0 106.557 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.14 -45.14 87.9 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.867 -0.521 . . . . 50.0 112.043 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -41.17 87.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 50.0 111.819 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.32 -34.92 77.55 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.503 -0.771 . . . . 50.0 110.298 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -65.54 -38.76 90.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.217 -0.302 . . . . 50.0 111.585 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.46 -38.67 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -66.25 -42.63 88.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.9 -0.5 . . . . 50.0 110.184 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 ttt -61.08 -31.33 71.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.682 0.393 . . . . 50.0 111.558 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.4 ttm -65.06 -20.09 66.32 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 10.3 t -125.46 18.43 8.17 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.226 0.536 . . . . 25.0 110.846 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.85 162.93 13.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.979 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-N 114.887 -1.051 . . . . 50.0 112.299 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 C--O 1.234 0.256 0 N-CA-C 111.728 0.27 . . . . 25.0 111.728 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -75.14 -38.73 60.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.29 -38.56 68.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.48 -30.09 70.39 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.278 -0.264 . . . . 25.0 110.354 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -67.11 -45.71 76.36 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 122.001 -0.437 . . . . 25.0 109.969 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.7 m -67.77 -25.71 65.75 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.894 0.378 . . . . 25.0 111.829 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.61 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.208 -0.933 . . . . 25.0 109.749 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -38.95 18.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 25.0 110.98 177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -87.05 93.87 9.48 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.533 0.683 . . . . 25.0 111.082 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -71.71 -17.66 62.21 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -86.88 -28.17 22.98 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.441 0.638 . . . . 25.0 109.356 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.21 17.99 79.7 Favored Glycine 0 C--O 1.227 -0.342 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.73 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.04 -6.88 58.57 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.58 7.27 54.03 Favored Glycine 0 C--O 1.239 0.413 0 C-N-CA 121.213 -0.518 . . . . 25.0 114.053 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.07 155.75 50.21 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.6 mt -118.43 128.01 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.1 p -106.83 170.17 8.1 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -62.38 -27.22 68.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.511 -0.743 . . . . 25.0 110.959 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -65.35 -39.79 92.79 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 121.295 -0.878 . . . . 25.0 109.805 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.52 -33.52 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -47.17 87.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.24 -30.78 77.39 Favored Glycine 0 CA--C 1.511 -0.209 0 CA-C-N 115.737 -0.665 . . . . 25.0 113.711 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.2 m -64.68 -46.4 82.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.1 -41.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.5 mmt -57.92 -50.03 74.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -72.82 -17.55 61.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.817 -0.552 . . . . 25.0 112.09 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -23.81 58.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 173.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -91.08 -0.17 57.67 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.63 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.14 1.81 88.33 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 121.249 -0.501 . . . . 25.0 113.598 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -82.46 133.48 35.21 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.836 -0.802 . . . . 25.0 110.995 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -120.98 57.31 6.04 Favored Pre-proline 0 CA--C 1.561 1.397 0 N-CA-C 114.667 1.358 . . . . 25.0 114.667 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -74.59 172.79 15.49 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 117.437 -1.242 . . . . 25.0 111.497 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -75.59 162.71 28.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 25.0 109.862 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.01 -31.52 72.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.062 0.458 . . . . 25.0 110.097 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.5 77.27 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.052 -0.405 . . . . 25.0 110.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -65.16 -41.74 94.42 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.18 -32.55 74.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.067 -0.396 . . . . 25.0 111.09 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -70.31 -42.77 71.55 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.229 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -31.32 71.65 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 122.189 -0.319 . . . . 25.0 110.727 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.2 mtp -64.54 -25.34 67.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.815 -0.553 . . . . 25.0 111.085 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.06 -47.7 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.37 -30.31 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.189 0.596 . . . . 25.0 111.531 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -29.49 41.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.924 0.489 . . . . 25.0 112.196 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.93 -29.53 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.2 53.14 1.69 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.888 0.852 . . . . 25.0 112.227 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.48 66.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.091 -0.959 . . . . 25.0 110.833 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.68 -17.06 56.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 122.766 0.427 . . . . 25.0 111.734 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.06 12.9 84.22 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 117.649 1.82 . . . . 25.0 117.649 173.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -3.36 48.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 119.617 1.709 . . . . 25.0 113.555 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.74 -2.91 77.45 Favored Glycine 0 C--O 1.24 0.501 0 N-CA-C 115.935 1.134 . . . . 25.0 115.935 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.6 p -136.87 163.52 30.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 119.076 1.438 . . . . 25.0 112.835 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -104.97 108.74 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 104.836 -2.283 . . . . 25.0 104.836 173.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -87.28 177.98 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -55.54 -43.67 99.26 Favored Pre-proline 0 CA--C 1.559 1.296 0 N-CA-C 115.448 1.647 . . . . 25.0 115.448 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -64.87 -28.81 58.64 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 114.497 -3.202 . . . . 25.0 113.675 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.47 -24.3 56.92 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.75 -37.04 76.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.14 -37.3 86.98 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -67.0 -36.48 82.26 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.609 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 C--O 1.22 -0.481 0 O-C-N 121.901 -0.499 . . . . 25.0 109.89 179.154 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.2 mt . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -66.32 -39.77 89.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.663 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.32 -47.98 77.33 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.711 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.77 83.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.056 0.455 . . . . 25.0 110.358 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -61.84 -45.04 95.51 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -71.65 -17.23 62.26 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.96 -41.01 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.192 -1.04 . . . . 25.0 108.192 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -83.32 -40.53 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.962 -0.461 . . . . 25.0 112.123 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -80.07 79.95 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.42 1.105 . . . . 25.0 109.562 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -70.96 -29.45 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.389 1.255 . . . . 25.0 114.389 -172.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -93.31 -8.2 42.71 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.413 0.551 . . . . 25.0 112.02 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.48 20.02 77.36 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 116.925 1.53 . . . . 25.0 116.925 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -84.41 4.45 31.46 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.863 1.801 . . . . 25.0 115.863 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.77 4.62 67.3 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.824 -0.703 . . . . 25.0 114.708 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -136.76 143.54 43.29 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -101.52 111.1 30.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 p -82.37 159.74 22.96 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.61 72.08 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.72 85.21 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.077 0.465 . . . . 25.0 111.729 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.95 -40.86 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.977 -0.379 . . . . 25.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -42.79 97.07 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -62.75 -31.15 72.04 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 116.376 -0.375 . . . . 25.0 111.28 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -63.14 -45.03 93.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.58 -0.848 . . . . 25.0 108.957 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.57 -44.3 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -39.55 94.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.049 0.388 . . . . 25.0 112.049 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.67 -39.04 93.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.233 0.54 . . . . 25.0 109.603 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.56 -24.07 61.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.431 -0.349 . . . . 25.0 111.495 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.95 -21.03 44.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.903 0.382 . . . . 25.0 110.965 176.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.95 7.1 53.44 Favored Glycine 0 C--O 1.238 0.388 0 CA-C-N 115.571 -0.741 . . . . 25.0 112.584 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.35 138.16 57.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -121.35 63.98 0.89 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 122.165 0.983 . . . . 25.0 109.662 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.09 161.11 14.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.767 -1.56 . . . . 25.0 109.247 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 168.99 12.99 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.28 -30.25 71.09 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 120.534 -0.466 . . . . 25.0 109.787 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.49 -32.73 70.36 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 122.699 0.4 . . . . 25.0 111.102 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.19 -33.07 65.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.86 -36.86 59.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.978 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -62.41 -44.25 96.87 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' HD2' ' A' ' 126' ' ' ARG . 18.5 tp10 -58.63 -39.47 80.61 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.401 -0.812 . . . . 25.0 112.239 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 42.3 ttm -65.67 -41.55 92.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.616 0.722 . . . . 25.0 111.655 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -69.82 -34.36 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.803 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.473 ' HD2' ' HA ' ' A' ' 123' ' ' GLU . 50.9 mtt180 -58.15 -29.71 65.78 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.691 0.997 . . . . 25.0 113.691 -176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.87 -23.86 66.06 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.383 0.611 . . . . 25.0 111.575 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.65 -20.58 13.42 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.168 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.01 76.65 8.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -172.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.8 -41.99 88.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 25.0 111.59 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.33 -8.99 58.19 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.0 19.6 67.0 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 116.575 1.39 . . . . 25.0 116.575 174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.72 2.52 54.72 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.437 1.643 . . . . 25.0 115.437 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.9 9.05 86.77 Favored Glycine 0 C--O 1.241 0.547 0 C-N-CA 121.245 -0.503 . . . . 25.0 114.197 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -133.94 167.75 20.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.18 116.02 49.05 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.08 168.32 20.26 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -60.76 -43.98 97.32 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 118.493 0.588 . . . . 25.0 111.391 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.1 -39.37 93.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.827 0.822 . . . . 25.0 110.874 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.17 -28.91 67.69 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.164 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.49 -32.66 72.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.77 -41.35 90.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -66.31 -40.7 90.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.933 -0.48 . . . . 25.0 110.678 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.9 ttt -60.08 -42.16 94.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.13 -0.356 . . . . 25.0 111.173 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.1 ttm . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.125 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--O 1.218 -0.584 0 CA-C-O 120.526 0.203 . . . . 25.0 110.682 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -69.22 -40.45 77.96 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.255 -0.278 . . . . 25.0 110.396 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -68.61 -39.36 80.88 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.331 -0.548 . . . . 25.0 109.936 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.65 -34.72 78.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.681 0.277 . . . . 25.0 110.714 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -69.5 -43.94 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.4 t -65.92 -20.56 66.26 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.062 0.458 . . . . 25.0 111.62 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.48 -38.59 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -89.08 -40.99 12.57 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.53 89.39 3.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.953 0.882 . . . . 25.0 110.722 -178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -76.15 -20.32 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -108.5 -5.45 16.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.63 19.99 77.17 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 116.183 1.233 . . . . 25.0 116.183 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -81.91 0.22 40.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.639 0.978 . . . . 25.0 113.639 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 3.66 71.92 Favored Glycine 0 CA--C 1.519 0.318 0 N-CA-C 114.844 0.698 . . . . 25.0 114.844 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -133.4 156.76 47.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.329 0.565 . . . . 25.0 111.796 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -112.88 116.22 52.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.5 p -91.9 166.54 12.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 p -60.82 -32.86 72.22 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -58.99 -44.12 91.55 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.853 0.835 . . . . 25.0 110.503 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.0 -35.81 56.85 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.854 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.62 -45.79 92.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.27 76.67 Favored Glycine 0 C--O 1.221 -0.678 0 CA-C-N 115.647 -0.706 . . . . 25.0 113.418 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.0 m -63.51 -40.55 97.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.601 0.7 . . . . 25.0 109.743 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.46 -43.33 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.82 -0.437 . . . . 25.0 109.82 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.65 -40.52 97.07 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -74.08 -18.73 60.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.335 -0.853 . . . . 25.0 112.015 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -74.86 -20.49 59.72 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.27 9.35 34.27 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.74 4.04 90.32 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 115.011 0.764 . . . . 25.0 115.011 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -82.66 148.9 27.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.503 0.652 . . . . 25.0 110.892 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -123.04 66.61 30.87 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.841 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.1 163.11 39.75 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 117.897 -0.935 . . . . 25.0 112.031 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.2 p -80.72 165.27 22.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -63.47 -31.17 72.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.42 -41.57 80.18 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.539 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.55 -38.22 90.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.236 1.017 . . . . 25.0 109.924 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.33 -27.74 65.63 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.555 -0.716 . . . . 25.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.41 -48.22 29.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 119.59 -0.243 . . . . 25.0 111.196 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.16 -27.79 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.7 mtt -67.91 -24.83 65.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.845 -0.535 . . . . 25.0 111.496 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -44.95 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.34 -30.59 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 117.714 0.233 . . . . 25.0 111.183 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.0 -30.31 46.77 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.496 0.925 . . . . 25.0 113.496 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -4.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 -176.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.97 62.09 4.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.875 0.845 . . . . 25.0 111.8 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.2 68.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -92.11 -3.72 55.31 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.56 18.48 71.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.093 1.197 . . . . 25.0 116.093 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -84.05 -0.76 53.01 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.953 1.377 . . . . 25.0 114.652 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.15 0.84 80.02 Favored Glycine 0 C--O 1.239 0.413 0 N-CA-C 116.595 1.398 . . . . 25.0 116.595 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.2 p -135.31 159.58 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.949 0.874 . . . . 25.0 111.378 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -90.52 115.3 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -93.46 168.99 10.69 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 -177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.89 -48.21 92.31 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 115.467 1.654 . . . . 25.0 115.467 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.83 -23.53 22.24 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 113.726 -3.716 . . . . 25.0 114.296 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.88 -34.14 66.5 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -64.65 -39.75 94.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.339 0.59 . . . . 25.0 109.722 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.72 -37.59 86.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.072 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -66.4 -33.57 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.161 -0.337 . . . . 25.0 111.162 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.1 ttm . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 176.804 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -65.2 -39.43 92.81 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 122.054 -0.404 . . . . 25.0 111.382 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -70.03 -38.42 75.88 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.894 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.25 79.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.846 0.355 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.72 -38.85 79.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.59 0.234 . . . . 25.0 110.402 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -69.66 -15.05 63.11 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.666 1.358 . . . . 25.0 114.666 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.0 t -66.78 -35.92 75.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 107.067 -1.457 . . . . 25.0 107.067 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.03 -54.01 4.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.356 -0.838 . . . . 25.0 109.487 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -81.4 76.94 8.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.868 0.842 . . . . 25.0 110.34 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -71.39 -14.28 62.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.403 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -75.6 -25.42 56.97 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.3 76.91 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.431 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -91.57 2.02 56.74 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.21 1.189 . . . . 25.0 114.21 -174.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.44 5.69 65.0 Favored Glycine 0 C--O 1.235 0.176 0 N-CA-C 114.322 0.489 . . . . 25.0 114.322 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -140.28 133.88 30.21 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.95 0.375 . . . . 25.0 111.672 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -97.98 118.11 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 173.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -89.87 168.37 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.13 -0.322 . . . . 25.0 110.13 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.4 79.29 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.164 -0.335 . . . . 25.0 110.4 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.04 82.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.625 0.726 . . . . 25.0 111.229 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -75.42 -37.24 60.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.86 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.44 -43.72 84.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -58.85 -32.22 69.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.3 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -61.32 -45.72 93.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.988 -0.445 . . . . 25.0 110.12 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.47 -40.59 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 25.0 110.225 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -35.66 77.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.238 0.542 . . . . 25.0 112.134 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 m -63.04 -38.8 92.65 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -72.48 -26.13 61.68 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.19 -0.319 . . . . 25.0 111.457 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.31 -20.17 57.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.815 0.34 . . . . 25.0 110.442 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.47 16.85 51.75 Favored Glycine 0 C--O 1.238 0.394 0 CA-C-N 116.042 -0.526 . . . . 25.0 113.356 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -69.91 159.66 33.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.733 0.778 . . . . 25.0 112.114 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -129.6 56.91 1.69 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.273 -0.876 . . . . 25.0 111.398 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.61 162.59 12.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.317 -0.856 . . . . 25.0 108.844 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -88.21 166.52 14.3 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.95 -30.74 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.52 0.676 . . . . 25.0 109.663 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -66.59 -38.85 87.87 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.162 -0.927 . . . . 25.0 111.769 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.68 -37.05 81.8 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.372 0.606 . . . . 25.0 109.718 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.91 -34.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.51 -39.34 88.6 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.958 -0.464 . . . . 25.0 110.037 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.85 -33.85 76.98 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.941 -0.704 . . . . 25.0 110.911 174.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.1 mtp -67.32 -34.5 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.728 -0.607 . . . . 25.0 111.729 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.26 -38.82 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -61.07 -27.26 68.23 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.03 -30.15 65.9 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.699 0.259 . . . . 25.0 111.699 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -112.34 -6.03 14.08 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -83.93 79.3 9.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.052 0.929 . . . . 25.0 111.503 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -41.25 87.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.138 -0.937 . . . . 25.0 112.193 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -11.0 52.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.92 21.11 59.89 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 117.666 1.826 . . . . 25.0 117.666 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 -0.29 55.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.862 1.331 . . . . 25.0 114.483 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.89 6.75 75.5 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.454 -0.403 . . . . 25.0 113.938 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -139.86 171.44 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.15 117.27 50.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.83 167.79 20.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.28 -43.88 92.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.882 -0.511 . . . . 25.0 111.906 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -64.11 -41.14 97.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.347 0.594 . . . . 25.0 111.147 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.33 -35.59 81.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.62 -40.07 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.13 -0.357 . . . . 25.0 110.759 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.97 -38.69 78.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.05 -41.64 99.53 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.719 -0.613 . . . . 25.0 110.305 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.2 ttp -61.52 -36.38 80.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 25.0 110.498 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.601 0.238 . . . . 25.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.03 -34.68 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.97 -37.99 75.93 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.815 -0.754 . . . . 25.0 109.53 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.04 79.65 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.179 -0.325 . . . . 25.0 110.667 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -66.19 -43.14 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.199 -0.313 . . . . 25.0 110.234 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -65.5 -25.28 67.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.452 . . . . 25.0 111.348 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.66 -27.39 66.82 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.084 -0.385 . . . . 25.0 110.719 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -92.5 -32.19 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.546 0.339 . . . . 25.0 111.468 174.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -79.39 78.33 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.014 0.911 . . . . 25.0 109.33 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.78 -23.92 67.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 -173.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -103.79 -8.45 19.79 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.742 1.016 . . . . 25.0 113.742 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.98 14.12 82.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 118.024 1.969 . . . . 25.0 118.024 174.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -82.41 1.06 39.16 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.72 69.03 Favored Glycine 0 C--O 1.238 0.384 0 N-CA-C 115.279 0.872 . . . . 25.0 115.279 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.4 p -135.84 155.84 49.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.518 0.659 . . . . 25.0 110.003 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt -111.28 116.1 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -100.93 168.89 9.33 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.254 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -34.04 67.51 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.621 -0.675 . . . . 25.0 112.251 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 25.0 110.305 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.92 -40.04 63.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.995 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.84 -43.99 97.73 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.05 82.91 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 115.344 -0.844 . . . . 25.0 112.779 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.5 m -64.83 -45.0 88.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.22 -42.67 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 122.247 -0.283 . . . . 25.0 110.505 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -60.06 -43.0 95.74 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.721 -0.391 . . . . 25.0 111.377 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.19 -21.26 59.9 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.404 -0.81 . . . . 25.0 112.249 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -71.36 -28.12 63.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.79 7.64 26.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.891 -0.595 . . . . 25.0 110.378 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.47 87.89 Favored Glycine 0 C--O 1.225 -0.454 0 N-CA-C 114.668 0.627 . . . . 25.0 114.668 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -80.74 160.15 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.987 -0.714 . . . . 25.0 110.381 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -125.96 68.16 62.97 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -72.33 157.6 53.12 Favored 'Trans proline' 0 CA--C 1.512 -0.586 0 C-N-CA 117.294 -1.337 . . . . 25.0 113.217 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.6 p -81.77 163.98 22.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -68.61 -28.41 66.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.213 -0.929 . . . . 25.0 109.582 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.09 80.38 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.157 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -62.02 -44.06 97.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.117 0.96 . . . . 25.0 109.512 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.13 -30.04 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.574 . . . . 25.0 110.769 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -73.83 -44.91 54.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 118.988 -0.53 . . . . 25.0 111.344 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.12 -29.76 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.466 1.03 . . . . 25.0 111.648 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.0 mtp -64.72 -26.44 68.37 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.431 -0.508 . . . . 25.0 110.942 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.1 -47.92 16.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.274 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.24 -28.43 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 122.899 0.48 . . . . 25.0 111.806 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.98 -27.99 34.94 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.807 1.04 . . . . 25.0 113.807 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.37 -11.58 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 114.38 1.252 . . . . 25.0 114.38 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.54 51.86 1.75 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.16 64.18 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.097 0.475 . . . . 25.0 111.155 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -79.9 -19.28 48.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.738 0.815 . . . . 25.0 111.713 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 17.32 78.03 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -4.25 58.79 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.917 1.359 . . . . 25.0 113.663 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.31 7.16 87.04 Favored Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.46 1.344 . . . . 25.0 116.46 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.4 p -137.14 154.2 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.738 0.769 . . . . 25.0 111.066 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.6 mt -87.19 114.55 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.347 -1.723 . . . . 25.0 106.347 173.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -87.89 173.14 9.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.843 -1.169 . . . . 25.0 107.843 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.27 -49.69 92.48 Favored Pre-proline 0 CA--C 1.559 1.312 0 N-CA-C 115.036 1.495 . . . . 25.0 115.036 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.4 -21.74 30.12 Favored 'Trans proline' 0 C--N 1.357 0.994 1 C-N-CA 112.34 -4.64 . . . . 25.0 113.397 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.02 -32.43 63.36 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.841 -0.537 . . . . 25.0 109.982 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -66.08 -40.83 91.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.18 -37.48 85.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.637 -0.71 . . . . 25.0 110.24 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -65.22 -41.13 94.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.303 0.573 . . . . 25.0 110.077 177.357 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -63.76 -41.27 98.02 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.211 -0.306 . . . . 25.0 110.731 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.99 -41.34 77.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.232 -0.587 . . . . 25.0 110.141 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.41 80.09 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.969 0.414 . . . . 25.0 111.834 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.22 -42.01 94.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -67.69 -21.4 65.33 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.752 1.019 . . . . 25.0 113.752 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.77 -41.58 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -80.47 -31.78 37.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.213 -0.304 . . . . 25.0 111.366 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.49 56.95 3.79 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.553 1.168 . . . . 25.0 109.223 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -64.06 -23.94 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 25.0 112.981 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -85.73 -7.42 58.79 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.22 0.464 . . . . 25.0 112.066 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.46 13.34 82.99 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 118.234 2.054 . . . . 25.0 118.234 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -87.62 1.67 53.03 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.549 1.675 . . . . 25.0 115.377 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.0 5.08 68.38 Favored Glycine 0 C--O 1.227 -0.311 0 N-CA-C 115.955 1.142 . . . . 25.0 115.955 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.11 152.2 45.93 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.9 mt -105.63 110.6 31.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.0 p -85.38 163.34 18.6 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.577 -0.449 . . . . 25.0 109.798 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.89 77.51 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.229 0.538 . . . . 25.0 109.606 173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.92 -32.16 73.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.807 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -79.5 -41.32 27.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.667 -0.242 . . . . 25.0 110.736 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.2 -47.86 82.58 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.967 -0.693 . . . . 25.0 109.327 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -27.9 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.571 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -66.61 -47.18 73.47 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.486 -0.759 . . . . 25.0 109.77 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -41.3 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.019 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.8 -38.47 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.372 -0.205 . . . . 25.0 111.502 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.6 m -63.9 -37.29 86.86 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.114 -0.366 . . . . 25.0 110.117 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.39 -22.04 62.8 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.002 -0.436 . . . . 25.0 110.717 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 mt -87.2 -7.22 58.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.605 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.49 65.21 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 115.264 0.866 . . . . 25.0 115.264 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.27 160.17 31.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 25.0 111.675 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -127.24 49.15 2.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.178 0.513 . . . . 25.0 111.906 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.19 163.48 25.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.384 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 79.6 p -95.55 168.73 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -29.67 69.25 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.085 -0.646 . . . . 25.0 110.436 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.51 -33.13 62.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 119.77 -0.157 . . . . 25.0 111.408 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.23 -38.99 91.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.99 -42.7 77.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 25.0 109.639 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.8 -47.99 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.12 -34.07 77.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.587 -0.696 . . . . 25.0 112.64 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -70.31 -34.43 72.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.829 -0.544 . . . . 25.0 111.98 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.4 mm -67.13 -37.46 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.28 -1.007 . . . . 25.0 108.28 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.92 -27.92 67.16 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.528 0.204 . . . . 25.0 111.299 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -109.05 -18.65 13.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -79.37 78.74 5.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.934 0.873 . . . . 25.0 113.11 -173.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.08 -42.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.117 -0.947 . . . . 25.0 111.719 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -85.38 -3.6 58.89 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.02 20.77 79.68 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 117.189 1.636 . . . . 25.0 117.189 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.23 -0.1 56.19 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.133 1.531 . . . . 25.0 115.133 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.06 75.53 Favored Glycine 0 C--O 1.245 0.823 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.112 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -138.44 168.43 19.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 25.0 109.775 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -103.79 120.65 54.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -81.94 169.62 16.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.534 -2.024 . . . . 25.0 105.534 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.18 -46.89 88.18 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -61.79 -40.13 94.13 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.582 0.706 . . . . 25.0 111.255 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -35.29 80.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.224 -0.898 . . . . 25.0 111.478 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -67.18 -40.63 86.58 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.709 0.29 . . . . 25.0 110.376 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.6 -42.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -63.35 -42.22 98.89 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.536 -0.102 . . . . 25.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.3 ttt -60.4 -37.12 79.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.958 0.408 . . . . 25.0 111.126 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.2 ttm . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -179.223 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--O 1.216 -0.68 0 N-CA-C 111.362 0.134 . . . . 25.0 111.362 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -73.07 -42.25 63.25 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.047 -0.408 . . . . 25.0 110.353 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.87 -37.82 73.08 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.64 74.34 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.107 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -61.59 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.8 t -64.56 -33.54 76.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.281 0.562 . . . . 25.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -37.09 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 25.0 110.301 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -83.61 -35.76 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.37 92.81 5.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.761 0.791 . . . . 25.0 110.796 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.09 -21.82 61.44 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -171.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -116.64 0.16 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.0 24.56 75.71 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 115.463 0.945 . . . . 25.0 115.463 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -83.0 -5.36 59.07 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.98 74.84 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 114.572 0.589 . . . . 25.0 114.572 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.1 p -137.43 154.06 50.02 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 117.265 0.532 . . . . 25.0 110.893 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.4 mt -116.9 122.55 70.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -90.79 167.43 12.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -61.62 -27.83 68.94 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.228 0.537 . . . . 25.0 110.773 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -71.98 -41.2 67.95 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.71 -0.619 . . . . 25.0 110.231 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -67.23 -42.08 84.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.13 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.64 -49.57 77.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.364 0.602 . . . . 25.0 110.199 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -33.08 86.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 115.871 -0.604 . . . . 25.0 113.415 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.8 m -64.59 -45.33 87.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.231 -0.57 . . . . 25.0 109.779 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.04 -39.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.651 -0.419 . . . . 25.0 110.893 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.28 -43.54 88.06 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.02 -0.425 . . . . 25.0 110.015 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -73.68 -22.62 59.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.032 0.752 . . . . 25.0 113.032 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -72.39 -29.13 63.48 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.27 -1.41 44.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.716 0.807 . . . . 25.0 110.625 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.27 3.98 81.49 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-N 116.445 -0.343 . . . . 25.0 113.749 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -78.65 147.99 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.611 0.705 . . . . 25.0 109.396 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -117.17 57.18 1.91 Allowed Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.04 160.43 42.88 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 115.907 -2.262 . . . . 25.0 113.065 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -77.84 163.22 26.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -72.73 -18.94 61.47 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.398 -0.814 . . . . 25.0 110.17 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.56 68.26 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 122.516 -0.115 . . . . 25.0 110.834 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.24 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.079 0.942 . . . . 25.0 108.666 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.64 -23.48 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -79.54 -49.78 11.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 119.315 -0.374 . . . . 25.0 111.022 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -69.56 -28.61 66.13 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.881 0.764 . . . . 25.0 112.274 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mtp -61.24 -33.03 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 25.0 110.638 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -85.37 -46.23 17.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-N 116.224 -0.444 . . . . 25.0 110.993 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.73 -33.38 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 117.777 0.262 . . . . 25.0 111.509 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.99 -21.31 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.317 1.228 . . . . 25.0 114.317 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.93 -16.79 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 -177.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -84.28 51.53 2.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.399 0.68 . . . . 25.0 111.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -20.21 66.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.276 0.56 . . . . 25.0 111.15 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.394 0.678 . . . . 25.0 110.962 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.35 14.41 81.97 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 117.64 1.816 . . . . 25.0 117.64 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -78.79 -1.62 35.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.517 1.658 . . . . 25.0 114.088 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.46 4.08 90.28 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 115.265 0.866 . . . . 25.0 115.265 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.8 p -136.06 161.49 35.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.266 0.533 . . . . 25.0 110.395 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.7 mt -90.38 116.78 32.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.725 -1.583 . . . . 25.0 106.725 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.93 173.37 8.26 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.45 -51.27 79.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 25.0 115.833 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.02 -21.29 24.35 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 113.366 -3.956 . . . . 25.0 113.536 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.37 -34.44 65.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -68.2 -36.94 80.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.809 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -46.15 89.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 m -65.91 -42.96 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 25.0 111.176 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.8 ttp . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.304 0.573 . . . . 25.0 110.397 -179.583 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.401 HG21 HG22 ' A' ' 142' ' ' VAL . 71.0 mt . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -65.28 -39.06 92.08 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.836 -0.54 . . . . 25.0 112.261 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.18 -43.35 91.97 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.735 -0.786 . . . . 25.0 109.856 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.02 89.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.361 0.601 . . . . 25.0 111.235 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.47 -42.46 98.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.346 0.593 . . . . 25.0 110.683 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -69.1 -13.77 62.62 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 114.484 1.29 . . . . 25.0 114.484 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.67 -38.57 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 174.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -89.89 -44.37 9.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.232 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.15 64.08 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.12 0.962 . . . . 25.0 108.658 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -60.03 -31.23 69.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.713 -1.13 . . . . 25.0 112.312 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.0 -18.82 49.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.47 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.14 24.96 65.01 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 117.733 1.853 . . . . 25.0 117.733 172.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.52 -0.08 56.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.649 1.352 . . . . 25.0 114.649 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.45 2.69 61.67 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.567 0.587 . . . . 25.0 114.567 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -139.5 138.88 36.75 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.517 0.327 . . . . 25.0 110.277 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.96 111.31 27.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.8 p -82.26 163.07 22.09 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.867 -0.733 . . . . 25.0 109.429 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.52 79.09 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.26 83.33 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.99 0.424 . . . . 25.0 111.467 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.79 -43.77 71.43 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.62 -41.7 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.49 0.662 . . . . 25.0 109.424 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -38.07 83.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.018 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.84 -45.41 86.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.306 -0.247 . . . . 25.0 110.565 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.64 -45.17 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mmt -62.58 -40.58 97.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.353 -0.217 . . . . 25.0 111.569 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.6 m -62.74 -38.87 92.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.729 0.3 . . . . 25.0 110.539 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.95 -28.06 62.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.307 -0.246 . . . . 25.0 111.174 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 mt -72.82 -25.25 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 122.83 -16.84 8.26 Favored Glycine 0 C--N 1.328 0.114 0 CA-C-N 116.055 -0.521 . . . . 25.0 112.487 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -71.23 134.32 46.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 25.0 110.312 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -114.69 54.57 0.77 Allowed 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.607 0.718 . . . . 25.0 110.496 -174.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.43 163.32 27.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.224 -1.353 . . . . 25.0 107.357 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -92.35 168.02 11.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.51 -34.56 78.06 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -64.36 -40.52 96.0 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.542 -1.208 . . . . 25.0 112.24 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.17 -37.36 85.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.542 0.686 . . . . 25.0 109.902 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -71.56 -34.42 52.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 116.112 -0.495 . . . . 25.0 110.162 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.32 -44.89 96.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.177 0.513 . . . . 25.0 109.802 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.72 -37.52 82.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.12 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 95.8 mtp -69.45 -38.08 77.62 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.17 -38.27 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -60.39 -25.04 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.05 -20.69 66.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -123.38 3.43 9.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -86.77 76.85 9.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.503 0.668 . . . . 25.0 111.208 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.4 -44.26 97.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.712 -0.677 . . . . 25.0 112.035 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -87.34 -2.59 58.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.047 1.129 . . . . 25.0 114.047 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.11 17.39 80.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 116.987 1.555 . . . . 25.0 116.987 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.22 1.53 50.43 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.08 10.1 84.32 Favored Glycine 0 C--O 1.24 0.476 0 C-N-CA 121.325 -0.464 . . . . 25.0 114.23 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -137.78 171.14 14.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.19 116.71 47.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.776 -1.565 . . . . 25.0 106.776 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.94 166.64 23.05 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 -177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -59.43 -43.58 93.08 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 120.416 -0.514 . . . . 25.0 110.775 174.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.23 -37.86 88.88 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.463 0.649 . . . . 25.0 112.363 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.24 -34.79 76.86 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -69.07 -38.01 78.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.032 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.401 HG22 HG21 ' A' ' 85' ' ' ILE . 78.8 t -62.78 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -63.39 -37.43 87.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 25.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.5 ttm -64.4 -39.02 93.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.217 0.532 . . . . 25.0 111.181 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -175.612 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 112.036 0.384 . . . . 25.0 112.036 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.54 -38.72 74.24 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.25 -43.26 87.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.6 78.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.782 0.433 . . . . 25.0 111.533 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -68.73 -45.5 71.36 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 120.965 0.412 . . . . 25.0 110.047 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.1 t -67.18 -20.38 65.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.397 0.618 . . . . 25.0 111.337 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -27.71 65.81 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 116.18 -0.464 . . . . 25.0 110.384 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.02 -41.41 8.77 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.614 0.365 . . . . 25.0 111.234 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.95 101.67 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.654 0.781 . . . . 25.0 109.109 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -70.57 -24.64 62.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 121.772 -0.58 . . . . 25.0 111.681 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -84.48 -27.65 27.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.296 0.569 . . . . 25.0 110.476 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 15.58 78.51 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.389 -0.823 . . . . 25.0 113.632 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -79.31 -25.85 42.33 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.13 -2.35 8.38 Favored Glycine 0 C--O 1.241 0.57 0 C-N-CA 121.451 -0.405 . . . . 25.0 114.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -134.59 146.57 49.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 117.458 0.629 . . . . 25.0 111.367 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.13 124.61 69.94 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 t -104.06 169.91 8.22 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.0 p -56.0 -39.16 71.48 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.445 0.64 . . . . 25.0 111.71 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -60.7 -42.68 97.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.55 0.69 . . . . 25.0 110.606 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.78 -42.26 70.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.505 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.12 -41.81 93.44 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.9 -33.32 85.37 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 121.465 -0.398 . . . . 25.0 113.543 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.6 m -67.49 -44.9 77.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.34 -43.38 94.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.908 -0.405 . . . . 25.0 109.908 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.4 -45.85 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.117 0.414 . . . . 25.0 112.117 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -70.47 -23.89 62.77 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -69.88 -30.19 67.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.21 -2.67 58.79 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.623 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.48 1.89 65.95 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 115.25 0.86 . . . . 25.0 115.25 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -82.59 155.44 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.904 -0.763 . . . . 25.0 111.774 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -127.1 54.86 13.27 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 115.494 1.665 . . . . 25.0 115.494 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.01 151.26 61.79 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 115.488 -2.541 . . . . 25.0 113.249 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.5 p -74.05 161.97 29.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.98 -18.78 62.6 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.455 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.61 69.0 Favored 'General case' 0 C--O 1.205 -1.263 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.4 -38.82 88.35 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.9 -35.38 80.48 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.77 -0.581 . . . . 25.0 110.301 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -68.89 -44.3 73.48 Favored 'General case' 0 C--O 1.198 -1.609 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.79 -45.49 94.2 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-O 121.895 0.855 . . . . 25.0 111.581 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.6 mtt -60.79 -24.47 65.82 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -86.26 -45.56 16.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.24 -30.27 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -52.36 -32.75 39.95 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -9.9 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -83.85 52.08 2.2 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 123.287 0.635 . . . . 25.0 110.812 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.28 61.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.025 0.44 . . . . 25.0 111.688 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -82.71 -9.48 59.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.908 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.92 79.19 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 116.469 1.348 . . . . 25.0 116.469 175.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.86 -6.05 58.29 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.192 1.496 . . . . 25.0 113.965 -176.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.62 -2.08 84.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 117.153 1.621 . . . . 25.0 117.153 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.7 p -138.25 149.06 45.38 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 117.664 0.732 . . . . 25.0 112.261 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.96 111.86 21.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.545 1.164 . . . . 25.0 108.222 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -88.35 171.28 10.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.234 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.38 -49.81 83.27 Favored Pre-proline 0 CA--C 1.554 1.103 0 N-CA-C 114.682 1.364 . . . . 25.0 114.682 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -64.13 -30.53 65.37 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 115.221 -2.72 . . . . 25.0 115.195 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.21 -29.09 60.2 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.711 -0.618 . . . . 25.0 109.689 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.9 -35.92 72.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.09 -38.52 90.99 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.4 m -66.08 -37.52 85.99 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.664 0.745 . . . . 25.0 110.697 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.8 ttp . . . . . 0 C--O 1.241 0.628 0 O-C-N 121.678 -0.639 . . . . 25.0 110.27 177.649 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.233 0.234 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -65.77 -22.37 66.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 118.454 -0.784 . . . . 25.0 111.613 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' HH11 ' A' ' 90' ' ' ARG . 47.7 mt-10 -67.92 -44.11 77.64 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.801 1.182 . . . . 25.0 108.42 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.38 76.73 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.893 0.854 . . . . 25.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 73.1 t80 -63.5 -39.05 93.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 25.0 109.7 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 87' ' ' GLU . 37.1 mtm-85 -71.12 -11.46 60.96 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 114.125 1.158 . . . . 25.0 114.125 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.78 -36.78 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 106.922 -1.51 . . . . 25.0 106.922 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -93.43 -47.2 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.015 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -83.86 56.39 3.66 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 121.436 0.636 . . . . 25.0 110.536 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -65.33 -25.78 67.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.652 0.739 . . . . 25.0 110.628 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -75.89 -14.03 60.27 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.196 -0.911 . . . . 25.0 111.795 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.68 72.87 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 116.571 1.389 . . . . 25.0 116.571 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.58 -1.29 57.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.226 1.513 . . . . 25.0 114.108 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.54 3.74 64.47 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 114.594 0.598 . . . . 25.0 114.594 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.19 151.21 47.49 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 122.455 -0.438 . . . . 25.0 110.128 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -105.69 124.15 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 171.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.7 p -95.96 166.08 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 25.0 110.01 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.51 82.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.037 0.446 . . . . 25.0 110.582 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -68.85 -41.62 78.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 25.0 111.207 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.77 -51.02 70.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.54 -0.755 . . . . 25.0 109.157 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -60.3 -37.73 81.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.712 -0.676 . . . . 25.0 112.02 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.14 -45.0 93.96 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.948 -0.47 . . . . 25.0 111.56 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.88 -42.25 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-O 120.917 0.389 . . . . 25.0 110.275 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.9 mtp -66.25 -32.26 73.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 113.992 1.108 . . . . 25.0 113.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.6 m -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.189 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -70.97 -23.62 62.25 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.48 -16.89 60.26 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.065 0.546 . . . . 25.0 110.653 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.87 -9.79 60.22 Favored Glycine 0 C--O 1.246 0.889 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.692 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.42 134.39 45.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.522 0.677 . . . . 25.0 110.295 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -109.18 67.2 0.65 Allowed 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.51 0.672 . . . . 25.0 110.195 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.69 155.52 40.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.13 -0.941 . . . . 25.0 109.886 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.0 p -88.64 176.34 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -32.09 71.27 Favored 'General case' 0 C--O 1.202 -1.409 0 C-N-CA 119.482 -0.887 . . . . 25.0 108.66 174.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.37 -41.48 98.81 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.478 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -62.96 -33.73 76.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.18 0.514 . . . . 25.0 110.762 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -78.88 -38.87 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.91 -44.18 94.44 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.54 -49.78 76.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.139 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.5 mtm -59.31 -34.74 72.69 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -77.43 -45.27 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 119.416 -0.326 . . . . 25.0 111.554 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -65.93 -34.08 77.31 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.51 -15.82 61.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.575 0.702 . . . . 25.0 110.459 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.3 -18.69 15.33 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.054 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -81.91 73.37 8.95 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.682 0.993 . . . . 25.0 113.682 -173.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.33 -45.26 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -86.98 -3.95 59.13 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 114.526 1.306 . . . . 25.0 114.526 -174.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.41 15.51 81.44 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.54 -1.2 49.9 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.594 1.197 . . . . 25.0 112.938 -177.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.85 3.29 85.84 Favored Glycine 0 C--O 1.24 0.531 0 C-N-CA 120.696 -0.764 . . . . 25.0 114.639 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -132.84 169.68 16.4 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.78 114.64 44.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.34 171.25 15.44 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.81 -1.552 . . . . 25.0 106.81 -175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.431 ' HA ' ' CE2' ' A' ' 89' ' ' PHE . 71.0 t80 -60.28 -45.12 94.44 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.063 -1.023 . . . . 25.0 112.452 177.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.39 -36.83 85.43 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.413 0.625 . . . . 25.0 111.798 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.87 -35.36 76.81 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.84 -0.618 . . . . 25.0 109.803 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.19 -40.43 96.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -43.55 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -62.41 -45.72 91.83 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.046 -0.409 . . . . 25.0 111.595 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.78 -36.79 79.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.06 0.457 . . . . 25.0 109.905 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.9 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.154 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 C--O 1.217 -0.638 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -66.31 -40.08 89.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -68.74 -40.46 79.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.127 0.489 . . . . 25.0 109.825 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.92 85.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.019 0.438 . . . . 25.0 111.446 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.37 -44.45 78.94 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.635 -0.505 . . . . 25.0 109.635 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 t -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 25.0 110.684 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -26.61 68.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.152 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.95 -36.51 11.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 25.0 110.831 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -79.76 82.69 5.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.763 0.792 . . . . 25.0 110.55 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.03 -26.27 63.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.261 0.837 . . . . 25.0 113.261 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -96.1 -13.99 23.21 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.25 81.23 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 116.902 1.521 . . . . 25.0 116.902 173.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.49 -5.96 55.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.03 58.22 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 114.814 0.685 . . . . 25.0 114.814 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 p -133.9 160.26 38.2 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.526 0.663 . . . . 25.0 111.087 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.13 124.98 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.727 -1.583 . . . . 25.0 106.727 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -108.03 167.58 9.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -36.4 70.1 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 122.096 -0.377 . . . . 25.0 111.555 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.03 -44.78 83.24 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.367 0.604 . . . . 25.0 110.937 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.31 -44.29 62.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.301 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.11 -44.23 97.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.676 0.751 . . . . 25.0 110.02 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -34.2 85.8 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.323 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -63.79 -41.63 97.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.24 -45.9 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.9 mtt -61.12 -44.44 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.54 -19.43 60.34 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.801 -0.76 . . . . 25.0 112.159 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -71.58 -23.17 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -90.82 1.86 56.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.688 . . . . 25.0 111.105 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.28 -1.26 57.35 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 116.071 1.188 . . . . 25.0 116.071 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -74.63 160.44 30.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.126 0.963 . . . . 25.0 110.153 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -124.47 56.07 11.45 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 111.938 0.348 . . . . 25.0 111.938 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.9 162.79 26.37 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 116.367 -1.955 . . . . 25.0 114.899 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -95.62 162.86 13.45 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.7 -32.75 74.48 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.49 -0.756 . . . . 25.0 112.662 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.74 78.32 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.777 0.322 . . . . 25.0 110.792 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -63.59 -38.32 90.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.171 0.986 . . . . 25.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.8 mt -73.54 -31.34 63.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.597 -0.729 . . . . 25.0 110.25 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -70.61 -37.36 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.49 -28.76 66.34 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 119.305 -0.958 . . . . 25.0 110.437 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -68.99 -27.84 66.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.018 -0.426 . . . . 25.0 110.891 175.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.5 mt -79.71 -47.19 22.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.25 -31.88 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 122.518 0.327 . . . . 25.0 110.819 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.92 -20.17 61.68 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -9.18 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -84.58 55.07 3.25 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.718 0.807 . . . . 25.0 111.523 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -15.98 63.24 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.212 0.53 . . . . 25.0 112.202 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -83.56 -19.39 35.68 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.74 0.816 . . . . 25.0 112.063 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.39 17.44 73.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.469 1.348 . . . . 25.0 116.469 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.01 -6.22 55.82 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.1 1.519 . . . . 25.0 115.1 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.04 4.56 86.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 117.552 1.781 . . . . 25.0 117.552 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -137.52 158.99 43.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.218 1.009 . . . . 25.0 110.547 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.7 mt -88.59 116.33 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.71 172.12 11.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.05 -48.84 96.37 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 114.535 1.309 . . . . 25.0 114.535 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.99 -28.11 49.97 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.285 -3.344 . . . . 25.0 113.656 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.05 -32.63 65.18 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -67.11 -39.89 86.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.33 -39.26 93.54 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 109.265 -0.643 . . . . 25.0 109.265 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.37 -39.25 92.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.876 0.369 . . . . 25.0 110.505 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.405 0.621 . . . . 25.0 110.409 177.908 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.237 0.415 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -63.2 -41.45 99.17 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.608 -0.683 . . . . 25.0 110.519 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.324 -0.235 . . . . 25.0 111.487 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.32 85.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.94 0.4 . . . . 25.0 110.717 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -63.21 -40.25 96.95 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.4 -14.96 63.37 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.25 -40.7 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -94.76 -40.21 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -81.49 73.64 8.52 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.851 0.834 . . . . 25.0 109.589 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -74.99 -29.66 60.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -85.21 -10.39 56.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.66 0.267 . . . . 25.0 110.591 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.35 75.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -81.61 0.69 37.25 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.185 0.993 . . . . 25.0 113.357 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.48 2.57 72.98 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 115.003 0.761 . . . . 25.0 115.003 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -140.79 157.82 44.85 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 117.032 0.416 . . . . 25.0 110.294 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 mt -119.56 107.3 20.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.1 p -83.77 166.13 18.27 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.886 -0.509 . . . . 25.0 110.682 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.98 90.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.064 0.459 . . . . 25.0 111.379 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.37 77.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.34 0.59 . . . . 25.0 110.758 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -72.11 -40.66 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.1 tp -65.62 -41.97 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 25.0 109.505 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -37.91 74.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.689 . . . . 25.0 110.673 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -60.32 -43.9 95.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 25.0 110.671 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.05 -48.09 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.16 0.505 . . . . 25.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.6 mtt -65.12 -39.52 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.4 m -63.61 -38.47 91.24 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -72.15 -23.91 61.37 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 120.848 -0.341 . . . . 25.0 111.278 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.75 -11.09 59.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.001 0.429 . . . . 25.0 109.957 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.46 8.6 65.84 Favored Glycine 0 C--O 1.241 0.566 0 CA-C-N 116.133 -0.485 . . . . 25.0 112.819 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.31 123.91 24.0 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -92.88 53.68 2.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.382 0.61 . . . . 25.0 110.807 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.0 mt -81.81 162.82 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.7 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.7 p -94.51 169.56 10.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -70.47 -29.07 65.52 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.85 -35.68 78.99 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 116.039 -0.528 . . . . 25.0 111.529 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.65 -38.17 90.11 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.579 0.704 . . . . 25.0 109.714 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.18 -39.76 65.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -60.69 -44.44 96.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.271 0.558 . . . . 25.0 110.258 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.91 -43.56 98.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.787 177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.7 mtm -65.79 -34.79 78.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.1 mm -71.84 -39.11 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 mtm105 -62.87 -26.19 68.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -69.03 -17.16 63.86 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 121.022 0.439 . . . . 25.0 111.214 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.94 -12.94 11.96 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.07 75.47 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.576 0.703 . . . . 25.0 112.097 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.59 -43.63 98.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.347 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -86.61 -4.18 59.14 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.39 1.255 . . . . 25.0 114.39 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.52 20.25 79.62 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 116.82 1.488 . . . . 25.0 116.82 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -0.74 56.09 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.47 8.42 80.8 Favored Glycine 0 C--O 1.242 0.6 0 C-N-CA 121.172 -0.537 . . . . 25.0 113.639 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.45 168.53 19.46 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.204 -0.586 . . . . 25.0 109.924 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.0 t -100.62 120.69 50.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -80.52 171.13 15.44 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.59 -48.68 80.69 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.08 -35.22 77.82 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.146 -0.971 . . . . 25.0 111.544 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.54 -32.87 74.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.699 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.99 -34.78 77.19 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.97 -0.456 . . . . 25.0 111.015 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.83 -39.97 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.396 -0.964 . . . . 25.0 108.396 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -63.88 -40.22 96.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.895 -0.503 . . . . 25.0 110.71 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.8 ttt -66.02 -21.62 66.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.375 0.607 . . . . 25.0 111.732 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.9 ttm . . . . . 0 C--N 1.322 -0.6 0 O-C-N 121.918 -0.489 . . . . 25.0 111.504 179.681 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.237 0.397 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -70.5 -41.85 72.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.105 -0.331 . . . . 25.0 110.105 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -71.86 -34.4 69.19 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.473 -0.491 . . . . 25.0 110.322 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.24 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.129 -0.357 . . . . 25.0 110.525 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -67.2 -42.42 84.16 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.207 -0.308 . . . . 25.0 110.264 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -60.91 -33.87 73.8 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.662 0.744 . . . . 25.0 112.143 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.29 -37.98 85.15 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 122.276 1.036 . . . . 25.0 111.774 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -78.99 -36.75 40.8 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.727 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -77.21 102.39 6.62 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.394 0.616 . . . . 25.0 110.685 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -69.69 -23.38 63.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.608 0.966 . . . . 25.0 113.608 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -88.85 -28.11 20.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 25.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.22 16.22 80.71 Favored Glycine 0 C--O 1.224 -0.503 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.58 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.15 -13.77 49.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.898 1.073 . . . . 25.0 113.898 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.92 -0.45 28.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 114.719 0.648 . . . . 25.0 114.719 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -132.19 145.15 51.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.662 0.731 . . . . 25.0 111.572 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -108.44 120.77 60.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -91.14 166.25 13.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 t -62.16 -27.71 69.14 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.563 0.696 . . . . 25.0 111.038 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.52 -44.79 73.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.534 0.683 . . . . 25.0 109.927 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.11 -42.27 80.5 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.526 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.01 -44.83 91.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -38.09 95.64 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-N 115.91 -0.586 . . . . 25.0 113.02 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 m -64.69 -41.59 95.92 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.826 -0.808 . . . . 25.0 110.229 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.17 -45.33 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 121.679 -0.638 . . . . 25.0 109.453 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.74 -42.35 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -72.48 -25.95 61.62 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -71.06 -26.9 63.28 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.86 3.62 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.633 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.35 8.54 81.02 Favored Glycine 0 C--O 1.222 -0.652 0 N-CA-C 114.632 0.613 . . . . 25.0 114.632 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -100.07 138.5 37.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.184 0.492 . . . . 25.0 109.689 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -119.44 59.83 5.35 Favored Pre-proline 0 CA--C 1.556 1.192 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -68.19 166.66 24.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 N-CA-C 114.936 1.091 . . . . 25.0 114.936 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.5 p -83.13 167.11 18.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.335 -0.616 . . . . 25.0 109.335 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -68.68 -32.28 71.98 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.564 -0.71 . . . . 25.0 111.085 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.43 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 25.0 110.409 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -67.18 -39.77 86.47 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.558 0.694 . . . . 25.0 109.571 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.1 mt -68.98 -25.72 64.67 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.063 -0.398 . . . . 25.0 110.841 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -76.07 -38.2 57.33 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 117.977 -1.011 . . . . 25.0 112.294 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.73 -27.93 68.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.652 1.115 . . . . 25.0 111.561 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 55.3 mtt -66.49 -27.03 67.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.173 0.511 . . . . 25.0 111.479 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.3 mt -87.19 -45.74 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.41 -32.61 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 123.456 0.702 . . . . 25.0 111.398 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.6 -20.82 22.93 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.69 -22.53 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -80.58 44.43 0.72 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.09 -14.18 62.86 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.163 0.506 . . . . 25.0 109.689 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -77.86 -18.41 56.26 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.582 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.44 4.16 89.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 119.638 2.615 . . . . 25.0 119.638 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -79.24 -1.26 35.67 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.744 1.772 . . . . 25.0 114.318 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.88 -3.01 85.38 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.943 1.537 . . . . 25.0 116.943 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.3 p -137.03 171.25 14.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 117.227 0.513 . . . . 25.0 111.522 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.3 mt -105.44 109.9 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.24 169.02 12.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.78 -49.7 90.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 N-CA-C 115.61 1.707 . . . . 25.0 115.61 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.39 -18.72 38.58 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 114.274 -3.351 . . . . 25.0 113.398 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -80.79 -22.71 39.84 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.699 -0.626 . . . . 25.0 111.238 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.74 -37.45 82.19 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.96 -37.81 84.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.046 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -64.26 -38.24 90.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.827 -0.546 . . . . 25.0 111.3 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 176.285 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.978 0.418 . . . . 25.0 110.085 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -67.97 -36.45 80.07 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.696 -0.627 . . . . 25.0 111.926 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.43 -46.04 90.36 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.04 -34.78 78.31 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.492 0.495 . . . . 25.0 111.608 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.36 -41.11 93.01 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -70.06 -15.59 63.02 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.26 -35.52 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 175.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -88.33 -43.0 11.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 25.0 111.07 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -83.94 80.17 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.862 0.839 . . . . 25.0 110.551 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.79 -15.89 60.73 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.926 -1.034 . . . . 25.0 112.586 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -75.24 -27.01 59.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.276 0.56 . . . . 25.0 109.838 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.35 27.93 66.94 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.585 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -105.84 5.7 30.96 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.956 1.836 . . . . 25.0 115.956 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 5.11 75.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 115.397 0.919 . . . . 25.0 115.397 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -134.96 133.46 39.54 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.4 mt -100.09 113.87 36.9 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 106.828 -1.545 . . . . 25.0 106.828 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.9 p -78.47 160.58 27.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.893 -0.723 . . . . 25.0 109.967 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.83 76.54 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.91 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.241 0.544 . . . . 25.0 110.944 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -64.51 -46.59 82.29 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -43.79 92.56 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.006 0.431 . . . . 25.0 111.418 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.28 -37.12 82.02 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.815 -0.553 . . . . 25.0 110.627 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -65.7 -38.14 88.38 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.357 -0.537 . . . . 25.0 110.7 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.89 -43.31 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.1 mtp -62.83 -40.92 98.9 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.76 0.314 . . . . 25.0 111.292 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.5 m -61.53 -39.83 92.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.368 0.604 . . . . 25.0 110.025 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -73.82 -23.15 59.62 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.68 -13.43 60.62 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 121.504 0.669 . . . . 25.0 109.468 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.67 32.23 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.853 -0.612 . . . . 25.0 113.079 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.26 118.64 28.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.303 1.049 . . . . 25.0 112.592 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -95.85 61.73 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.79 155.58 40.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -84.84 166.69 16.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 106.556 -1.646 . . . . 25.0 106.556 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.96 -36.13 82.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.816 -0.354 . . . . 25.0 110.066 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -67.61 -37.07 82.01 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.21 -38.31 90.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.427 0.632 . . . . 25.0 109.842 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.07 -35.89 55.11 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.483 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.58 -41.99 87.01 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -60.96 -38.85 87.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 120.846 -0.342 . . . . 25.0 111.722 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.38 -34.17 74.13 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.0 mm -72.22 -37.46 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -59.08 -26.08 64.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -70.53 -15.95 62.83 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.169 0.509 . . . . 25.0 111.024 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -116.72 -26.5 6.96 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -77.99 90.13 4.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.735 0.643 . . . . 25.0 112.735 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.71 -44.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 122.982 0.513 . . . . 25.0 111.829 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -84.13 -9.99 58.14 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.971 1.1 . . . . 25.0 113.971 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.74 22.09 77.6 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.438 -0.646 . . . . 25.0 114.575 174.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -83.63 -0.49 50.81 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.74 11.1 80.21 Favored Glycine 0 C--O 1.249 1.033 0 N-CA-C 112.04 -0.424 . . . . 25.0 112.04 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.95 163.41 30.34 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.657 0.742 . . . . 25.0 111.126 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.47 113.87 44.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -75.26 167.46 21.87 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.37 -2.455 . . . . 25.0 104.37 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -59.23 -43.87 92.35 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.477 -1.389 . . . . 25.0 112.828 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.5 -39.04 91.4 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.717 -0.615 . . . . 25.0 112.587 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.78 -33.93 76.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.608 -0.723 . . . . 25.0 110.783 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -68.91 -39.02 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.165 0.507 . . . . 25.0 110.997 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.31 -42.87 97.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -61.1 -43.62 98.6 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 122.139 -0.35 . . . . 25.0 111.013 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.98 -41.42 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.16 0.505 . . . . 25.0 111.206 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.7 ptm . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 114.47 1.285 . . . . 25.0 114.47 -177.301 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.729 0.27 . . . . 25.0 111.729 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.68 -37.7 73.67 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.809 -0.557 . . . . 25.0 110.474 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.64 -42.82 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.59 76.41 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.178 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -67.73 -45.09 76.02 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -63.26 -29.94 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.811 0.815 . . . . 25.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -21.92 65.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.827 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -102.79 -39.52 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.546 0.338 . . . . 25.0 111.203 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.83 82.17 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.02 0.914 . . . . 25.0 110.855 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.08 -21.66 62.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.22 -14.01 19.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.08 82.73 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.6 -2.68 43.66 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.05 4.84 66.52 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-O 119.588 -0.562 . . . . 25.0 114.165 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -130.87 155.93 45.91 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 117.66 0.73 . . . . 25.0 111.321 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.18 125.04 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -113.07 169.93 8.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -62.01 -28.03 69.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.818 -0.551 . . . . 25.0 112.451 -175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.98 -39.05 87.08 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.634 -0.666 . . . . 25.0 110.725 174.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -72.22 -36.81 69.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.02 87.99 Favored Glycine 0 C--O 1.221 -0.659 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.248 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.6 m -63.81 -43.97 94.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.13 -41.01 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.163 -0.336 . . . . 25.0 110.42 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.4 mmt -60.91 -41.11 95.47 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.838 -0.539 . . . . 25.0 111.754 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -67.49 -32.42 73.23 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.95 -0.469 . . . . 25.0 110.973 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -67.37 -31.02 70.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.867 0.365 . . . . 25.0 110.033 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.49 5.65 19.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.176 -0.465 . . . . 25.0 111.153 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.33 90.2 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 114.138 0.415 . . . . 25.0 114.138 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -86.73 149.68 24.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.267 0.534 . . . . 25.0 110.869 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -123.45 54.33 6.9 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.89 163.57 38.0 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 117.824 -0.984 . . . . 25.0 113.501 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -81.65 165.14 21.3 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.422 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.11 -27.97 66.06 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.164 -0.96 . . . . 25.0 112.807 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.65 69.59 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.546 0.689 . . . . 25.0 109.147 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.42 -40.08 89.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.019 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.7 mt -67.71 -23.5 65.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.548 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -79.44 -40.5 29.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.168 -0.444 . . . . 25.0 111.707 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -69.92 -26.07 63.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.932 0.787 . . . . 25.0 111.837 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.1 mtt -60.24 -32.4 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.999 0.428 . . . . 25.0 110.381 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mt -83.63 -44.14 18.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 CA-C-O 119.126 -0.464 . . . . 25.0 110.12 177.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.36 -32.42 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 118.2 0.454 . . . . 25.0 112.157 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.66 -17.17 59.99 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.18 -34.51 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.738 0.78 . . . . 25.0 109.602 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.12 59.04 2.62 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.098 1.359 . . . . 25.0 112.416 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.49 61.32 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.319 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.23 -17.42 46.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.623 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 5.89 89.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 117.598 1.799 . . . . 25.0 117.598 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -3.67 58.53 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.32 1.56 . . . . 25.0 114.724 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.34 2.56 90.62 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.204 2.041 . . . . 25.0 118.204 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -137.29 146.51 44.76 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.123 0.961 . . . . 25.0 111.326 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.5 123.16 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -105.47 -178.2 3.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.75 -47.32 97.72 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 115.953 1.835 . . . . 25.0 115.953 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -66.82 -27.34 44.06 Favored 'Trans proline' 0 C--N 1.356 0.925 1 C-N-CA 113.179 -4.081 . . . . 25.0 114.785 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -75.93 -27.27 57.53 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.17 -0.957 . . . . 25.0 110.816 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.84 -37.82 85.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -40.36 96.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 25.0 109.805 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.3 m -65.97 -38.65 89.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.5 . . . . 25.0 110.825 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 122.992 0.517 . . . . 25.0 110.98 177.982 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.39 -44.09 95.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.909 -0.495 . . . . 25.0 110.152 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.639 -0.424 . . . . 25.0 111.507 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.05 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.816 0.341 . . . . 25.0 110.329 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.78 -40.46 97.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 25.0 110.113 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.51 -18.48 65.06 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.55 -35.66 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -92.97 -44.42 8.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -82.82 82.97 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 25.0 110.673 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -68.79 -24.14 64.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.115 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -73.41 -26.89 61.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.209 0.528 . . . . 25.0 110.215 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 21.83 77.68 Favored Glycine 0 C--O 1.223 -0.579 0 N-CA-C 111.64 -0.584 . . . . 25.0 111.64 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -93.53 2.71 56.33 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.224 1.194 . . . . 25.0 114.224 -173.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 8.26 64.08 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 114.48 0.552 . . . . 25.0 114.48 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.91 137.98 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.253 -0.277 . . . . 25.0 110.253 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.22 116.72 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.708 -1.59 . . . . 25.0 106.708 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -88.4 165.27 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.89 80.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.993 0.425 . . . . 25.0 110.33 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.71 98.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 25.0 110.892 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.91 -43.36 83.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.716 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.95 -42.79 99.92 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.466 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -62.86 -46.92 85.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 176.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.42 -39.47 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 122.307 -0.245 . . . . 25.0 110.61 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -38.89 89.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.601 0.715 . . . . 25.0 111.475 176.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 m -66.88 -35.59 80.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.19 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -70.28 -29.41 66.16 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.094 -0.379 . . . . 25.0 110.989 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.65 -19.97 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.09 0.471 . . . . 25.0 110.009 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.47 6.04 61.39 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-N 116.168 -0.469 . . . . 25.0 112.169 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -69.8 148.91 48.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.117 0.484 . . . . 25.0 109.904 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -120.07 36.29 4.58 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.922 0.868 . . . . 25.0 110.93 -172.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.56 163.24 27.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 113.907 -1.497 . . . . 25.0 108.051 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 120' ' ' GLU . 50.5 p -91.65 171.88 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -66.41 -33.57 76.0 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.148 0.579 . . . . 25.0 111.447 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 117' ' ' THR . 2.0 mm-40 -65.24 -36.66 84.83 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.567 0.698 . . . . 25.0 109.519 178.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.37 -38.36 40.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.99 -39.97 94.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.495 0.664 . . . . 25.0 110.325 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 110.573 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.9 mtm -64.08 -31.99 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.096 -0.378 . . . . 25.0 111.757 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.09 -40.25 78.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.76 -35.73 73.23 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.72 -18.66 62.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.03 -22.62 13.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.852 0.358 . . . . 25.0 111.811 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -83.28 79.31 9.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.075 0.94 . . . . 25.0 112.049 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.42 -40.76 89.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.996 -1.002 . . . . 25.0 110.953 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -81.82 -14.79 55.86 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.67 18.12 71.38 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 117.651 1.82 . . . . 25.0 117.651 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.09 -1.14 56.52 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.188 1.494 . . . . 25.0 114.291 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.19 6.26 71.68 Favored Glycine 0 N--CA 1.461 0.336 0 C-N-CA 121.416 -0.421 . . . . 25.0 113.69 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.65 167.14 22.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.416 0.627 . . . . 25.0 110.26 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.21 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.283 -1.377 . . . . 25.0 107.283 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.95 170.56 16.49 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.64 -43.24 97.8 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.145 0.794 . . . . 25.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.44 -35.49 81.08 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.515 -0.74 . . . . 25.0 111.311 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.23 -30.01 66.97 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.76 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -66.53 -36.41 82.61 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.4 t -66.41 -40.67 87.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -62.67 -41.81 99.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.76 0.314 . . . . 25.0 110.508 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.46 -37.75 88.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 25.0 110.5 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.1 ttm . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 112.145 0.424 . . . . 25.0 112.145 -179.499 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--O 1.224 -0.27 0 CA-C-O 119.748 -0.167 . . . . 25.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -69.1 -36.46 77.57 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 118.118 0.417 . . . . 25.0 110.301 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -68.72 -43.33 76.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.82 81.76 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.859 0.362 . . . . 25.0 110.519 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -69.53 -43.02 73.89 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -64.66 -31.11 72.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 25.0 111.256 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.21 -36.45 83.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.6 0.715 . . . . 25.0 109.118 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.92 -35.78 21.89 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.593 -0.73 . . . . 25.0 112.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.99 86.85 4.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.936 0.874 . . . . 25.0 110.426 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -69.0 -27.6 65.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -100.3 -11.13 20.58 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.49 12.59 83.6 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 117.073 1.589 . . . . 25.0 117.073 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -81.7 -0.87 44.75 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.652 1.352 . . . . 25.0 114.652 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 5.23 70.37 Favored Glycine 0 CA--C 1.517 0.176 0 N-CA-C 114.664 0.626 . . . . 25.0 114.664 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 p -133.03 159.18 40.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.327 0.584 . . . . 25.0 111.835 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.7 mm -109.5 130.28 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.281 -1.748 . . . . 25.0 106.281 173.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -111.44 166.11 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 p -60.44 -35.07 74.96 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.35 -44.32 92.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.825 0.821 . . . . 25.0 110.456 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.62 -36.82 70.88 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.275 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -42.0 97.81 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.67 93.63 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-N 115.826 -0.624 . . . . 25.0 111.841 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.4 m -61.16 -45.69 93.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.123 0.462 . . . . 25.0 109.975 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.95 -42.84 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.2 mmm -61.95 -39.37 91.87 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.76 -0.588 . . . . 25.0 111.405 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -72.03 -26.12 62.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.886 -0.509 . . . . 25.0 111.859 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -71.42 -29.04 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.73 -10.45 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.575 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 9.26 64.27 Favored Glycine 0 C--O 1.235 0.214 0 CA-C-N 116.352 -0.385 . . . . 25.0 113.769 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -76.52 165.14 25.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.36 0.58 . . . . 25.0 111.387 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -123.52 58.02 12.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 115.826 -0.624 . . . . 25.0 112.283 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.28 162.31 36.6 Favored 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 115.677 -2.415 . . . . 25.0 113.504 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.3 p -89.13 156.75 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.538 -2.023 . . . . 25.0 105.538 172.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.18 -20.01 63.15 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.475 -0.89 . . . . 25.0 110.081 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.0 80.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.032 -0.359 . . . . 25.0 110.032 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.35 -39.9 81.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.105 0.955 . . . . 25.0 109.097 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.62 -31.53 72.28 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.642 -0.662 . . . . 25.0 109.801 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -69.22 -44.15 72.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 118.904 -0.569 . . . . 25.0 110.702 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.82 -31.9 72.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.426 1.012 . . . . 25.0 110.187 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mtp -65.02 -27.92 69.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -43.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.212 -0.292 . . . . 25.0 110.212 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.49 -26.57 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.279 0.632 . . . . 25.0 110.523 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.36 -29.5 34.71 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.965 0.728 . . . . 25.0 112.965 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 t -120.81 -30.29 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 112.065 0.394 . . . . 25.0 112.065 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -77.7 59.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.766 0.826 . . . . 25.0 113.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.16 66.57 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.052 -0.405 . . . . 25.0 111.218 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -78.35 -17.54 56.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.837 0.455 . . . . 25.0 111.137 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.56 78.87 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -4.38 53.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.789 1.295 . . . . 25.0 112.594 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.6 1.15 81.07 Favored Glycine 0 C--O 1.236 0.263 0 N-CA-C 115.581 0.992 . . . . 25.0 115.581 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -133.8 160.35 37.87 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 117.839 0.82 . . . . 25.0 112.946 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.5 mt -109.28 104.48 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 172.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.22 170.28 16.89 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -50.81 -49.22 80.97 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 115.669 1.729 . . . . 25.0 115.669 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.82 -23.04 26.42 Favored 'Trans proline' 0 C--N 1.355 0.871 1 C-N-CA 112.731 -4.379 . . . . 25.0 113.636 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -74.99 -28.69 60.64 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -70.87 -36.28 72.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.35 -39.37 93.75 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.37 -40.69 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.158 0.504 . . . . 25.0 110.577 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 ttt . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.185 0.517 . . . . 25.0 110.216 178.332 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -65.76 -41.16 92.44 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.975 -0.453 . . . . 25.0 110.376 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.3 -48.06 79.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.145 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.05 79.33 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.17 0.509 . . . . 25.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -62.46 -45.71 91.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.36 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -72.25 -15.59 61.92 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 113.699 1.0 . . . . 25.0 113.699 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.64 -41.57 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.08 -45.73 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 25.0 110.455 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -85.82 58.34 4.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.076 0.941 . . . . 25.0 109.379 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.27 -24.49 67.89 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.838 1.422 . . . . 25.0 114.838 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -94.21 4.02 54.46 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.193 -0.317 . . . . 25.0 111.824 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.2 27.03 72.51 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 118.243 2.057 . . . . 25.0 118.243 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -65.65 -27.0 68.05 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.264 1.532 . . . . 25.0 112.679 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.81 5.0 64.87 Favored Glycine 0 C--N 1.32 -0.317 0 N-CA-C 109.018 -1.633 . . . . 25.0 109.018 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -144.99 145.76 31.65 Favored 'General case' 0 C--O 1.251 1.166 0 C-N-CA 123.67 0.788 . . . . 25.0 111.868 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.5 mt -106.93 118.8 55.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 N-CA-C 106.04 -1.837 . . . . 25.0 106.04 170.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -91.24 163.68 14.16 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.87 83.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 25.0 110.176 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.96 94.53 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.253 0.549 . . . . 25.0 110.938 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -73.07 -40.2 65.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.414 -0.357 . . . . 25.0 110.2 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.87 -44.56 96.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.04 -34.02 75.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -62.83 -45.76 91.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.36 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.702 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.8 mtt -58.02 -42.61 85.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 25.0 111.61 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -62.11 -36.37 81.53 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.001 -0.437 . . . . 25.0 110.529 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -73.3 -26.54 61.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.729 0.299 . . . . 25.0 110.91 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.95 -17.41 59.75 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.024 0.44 . . . . 25.0 110.129 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.91 -2.74 55.58 Favored Glycine 0 C--O 1.238 0.396 0 CA-C-N 115.972 -0.558 . . . . 25.0 112.049 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.66 157.73 34.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -139.28 56.92 1.66 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.149 0.426 . . . . 25.0 112.149 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.94 159.25 34.56 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.1 p -89.39 168.58 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -64.21 -35.21 80.05 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.56 -35.13 76.98 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 112.435 0.532 . . . . 25.0 112.435 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.83 -40.59 83.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.29 -40.51 82.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.41 -43.85 96.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.783 0.325 . . . . 25.0 110.618 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -62.77 -43.96 97.44 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.048 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.2 mtp -64.45 -33.61 76.29 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.02 -40.04 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.656 -0.498 . . . . 25.0 109.656 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -58.46 -35.09 71.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.74 -19.68 65.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.646 0.26 . . . . 25.0 111.436 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.11 -19.88 13.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.86 0.362 . . . . 25.0 111.544 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -82.92 82.22 8.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.05 -43.88 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.06 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -87.62 -6.11 58.43 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.155 1.168 . . . . 25.0 114.155 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.17 78.97 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.909 1.124 . . . . 25.0 115.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.01 -0.59 55.9 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.566 1.321 . . . . 25.0 114.566 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 7.92 84.86 Favored Glycine 0 C--O 1.239 0.411 0 O-C-N 121.867 -0.521 . . . . 25.0 113.81 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -134.97 167.11 21.53 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.256 0.551 . . . . 25.0 110.204 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.11 116.96 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.76 167.07 21.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -60.14 -45.47 92.92 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 119.531 -0.868 . . . . 25.0 112.032 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -62.93 -38.68 91.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.529 0.681 . . . . 25.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -33.87 76.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.156 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -70.21 -36.1 74.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.129 -0.357 . . . . 25.0 110.378 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.99 -42.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -61.75 -45.6 93.23 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.09 -20.76 66.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.459 0.647 . . . . 25.0 111.572 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.2 ttm . . . . . 0 C--N 1.322 -0.607 0 O-C-N 121.26 -0.9 . . . . 25.0 111.786 177.779 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 N--CA 1.441 -0.905 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -65.79 -41.85 91.47 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.658 0.663 . . . . 25.0 109.892 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.33 -39.6 74.65 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.827 -0.749 . . . . 25.0 109.084 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.76 81.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.64 -44.8 89.31 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -64.05 -27.14 68.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 25.0 111.206 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.88 -32.03 63.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.628 -0.26 . . . . 25.0 110.819 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.49 -30.28 23.58 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.852 0.358 . . . . 25.0 111.325 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -83.6 92.36 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.676 0.75 . . . . 25.0 109.6 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -76.37 -24.52 54.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 -170.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -108.09 -10.64 15.42 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.04 22.54 65.54 Favored Glycine 0 C--O 1.225 -0.456 0 N-CA-C 115.746 1.058 . . . . 25.0 115.746 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.85 -7.82 59.63 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.72 1.007 . . . . 25.0 113.72 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.37 1.59 57.93 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 114.729 0.652 . . . . 25.0 114.729 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -131.95 161.05 34.05 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.946 0.873 . . . . 25.0 112.131 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mm -116.72 120.16 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 105.281 -2.118 . . . . 25.0 105.281 173.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -101.11 165.75 11.15 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -34.1 61.47 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.825 -0.547 . . . . 25.0 111.766 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -64.29 -39.4 93.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.01 -0.431 . . . . 25.0 111.368 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.48 -43.83 54.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.13 -44.63 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 25.0 110.641 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.2 83.38 Favored Glycine 0 C--O 1.225 -0.459 0 CA-C-N 115.683 -0.69 . . . . 25.0 112.861 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.9 m -66.68 -46.65 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.663 0.731 . . . . 25.0 109.826 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.81 -36.78 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.937 0.398 . . . . 25.0 110.152 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -66.51 -31.06 71.55 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.27 -0.894 . . . . 25.0 112.083 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -73.91 -23.53 59.57 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.167 -0.958 . . . . 25.0 111.111 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -21.7 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.789 0.328 . . . . 25.0 110.639 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -91.28 10.25 28.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.814 173.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.73 7.79 83.8 Favored Glycine 0 CA--C 1.517 0.163 0 N-CA-C 114.546 0.578 . . . . 25.0 114.546 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.76 143.11 30.2 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.272 -0.546 . . . . 25.0 110.095 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -124.79 52.91 6.65 Favored Pre-proline 0 CA--C 1.551 1.012 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.22 164.52 31.0 Favored 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 116.128 -2.115 . . . . 25.0 113.251 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.4 p -76.52 164.71 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.33 -22.87 62.76 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.048 -0.407 . . . . 25.0 110.925 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -42.9 71.69 Favored 'General case' 0 C--O 1.208 -1.117 0 N-CA-C 109.913 -0.402 . . . . 25.0 109.913 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.34 -39.82 94.66 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.41 -33.5 75.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.103 -0.373 . . . . 25.0 110.766 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.61 -42.89 70.35 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 110.303 -0.258 . . . . 25.0 110.303 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.19 -35.91 76.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 25.0 110.41 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.0 mtt -67.28 -25.77 66.21 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -80.92 -47.08 20.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.87 -32.86 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 120.798 0.332 . . . . 25.0 110.392 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.02 -21.6 59.32 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.972 1.471 . . . . 25.0 114.972 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.55 -13.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.511 1.3 . . . . 25.0 114.511 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -77.73 65.51 3.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 25.0 112.954 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -24.34 67.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -89.47 -7.17 55.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.22 73.79 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 116.444 1.337 . . . . 25.0 116.444 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -2.13 50.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.632 1.216 . . . . 25.0 113.669 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.44 -1.6 86.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 115.579 0.992 . . . . 25.0 115.579 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.3 p -133.91 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.073 0.936 . . . . 25.0 111.048 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.8 mt -84.91 121.48 36.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.11 -1.811 . . . . 25.0 106.11 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 178.97 4.41 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.57 -55.54 22.07 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -171.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.24 -26.08 30.38 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 113.513 -3.858 . . . . 25.0 114.62 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.43 -33.24 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.956 -0.465 . . . . 25.0 109.924 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.7 -42.35 77.87 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.97 -42.64 94.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -64.35 -41.71 96.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.828 -0.169 . . . . 25.0 111.401 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.0 ttm . . . . . 0 N--CA 1.471 0.613 0 O-C-N 121.825 -0.547 . . . . 25.0 111.582 -179.289 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--O 1.224 -0.259 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -65.31 -42.37 93.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.197 -0.314 . . . . 25.0 111.706 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.43 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.95 86.24 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.88 -45.26 93.39 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.271 -0.268 . . . . 25.0 110.529 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -70.07 -22.64 63.04 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.57 -38.09 81.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -87.98 -39.31 14.8 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.576 -0.45 . . . . 25.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -81.66 76.44 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.009 0.909 . . . . 25.0 110.339 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -66.24 -23.72 66.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.214 -0.903 . . . . 25.0 112.138 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -75.72 -24.6 56.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.406 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.14 13.12 79.61 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.24 2.17 52.89 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.469 1.655 . . . . 25.0 115.469 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 4.19 68.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 116.238 1.255 . . . . 25.0 116.238 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.56 143.64 35.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 mt -110.62 111.07 34.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.6 p -82.93 161.58 21.78 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.508 -0.745 . . . . 25.0 109.888 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.22 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.891 0.377 . . . . 25.0 111.067 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.56 83.28 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.341 0.591 . . . . 25.0 110.914 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -69.87 -41.91 74.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.081 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -45.98 89.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -58.38 -37.86 76.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.354 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -62.67 -45.6 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.126 0.489 . . . . 25.0 110.456 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.99 -47.0 92.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.08 -39.3 81.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.5 m -63.06 -42.16 99.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -71.89 -24.95 61.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.739 0.304 . . . . 25.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.6 mt -76.85 -19.66 57.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.022 0.529 . . . . 25.0 110.546 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.48 24.42 31.04 Favored Glycine 0 C--O 1.242 0.617 0 C-N-CA 121.287 -0.482 . . . . 25.0 113.239 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.89 163.98 18.41 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.685 0.755 . . . . 25.0 112.632 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -129.45 57.53 1.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.75 -173.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.85 162.48 22.09 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 105.634 -1.987 . . . . 25.0 105.634 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.6 p -93.44 167.93 11.39 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.23 -32.94 74.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.21 -32.19 69.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.539 -0.755 . . . . 25.0 111.403 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.35 -35.31 73.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.07 -38.21 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.98 -48.24 82.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.03 -37.83 83.95 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.591 -0.693 . . . . 25.0 112.102 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.92 -32.32 73.59 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.976 -0.452 . . . . 25.0 111.966 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -75.96 -41.17 38.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.131 -0.322 . . . . 25.0 110.131 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.84 -35.49 70.98 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 -174.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.8 -25.21 64.58 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.624 0.249 . . . . 25.0 111.517 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.13 -17.11 14.25 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -82.73 82.1 8.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.75 0.786 . . . . 25.0 111.979 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.17 -40.54 87.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.826 -177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -86.18 -14.68 43.31 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.16 17.92 77.36 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 116.274 1.27 . . . . 25.0 116.274 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -83.27 -0.65 50.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.05 10.75 77.81 Favored Glycine 0 C--O 1.247 0.923 0 C-N-CA 120.969 -0.634 . . . . 25.0 113.052 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -135.84 162.36 33.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.69 0.757 . . . . 25.0 110.261 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.05 118.1 49.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -79.11 171.12 15.64 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 105.469 -2.049 . . . . 25.0 105.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.14 -43.45 95.71 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.805 -0.758 . . . . 25.0 111.929 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.22 -40.91 97.02 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.527 0.679 . . . . 25.0 111.774 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -66.29 -32.65 74.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 25.0 109.883 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -67.7 -34.94 77.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.166 -0.334 . . . . 25.0 110.81 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.22 -40.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -62.8 -43.36 99.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.347 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.4 ttt -66.01 -19.07 65.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 tpp . . . . . 0 C--N 1.322 -0.597 0 O-C-N 121.836 -0.54 . . . . 25.0 110.913 178.068 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 120.502 0.192 . . . . 25.0 111.309 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -66.12 -37.3 85.39 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.925 -0.398 . . . . 25.0 109.925 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -40.78 90.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.12 80.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.84 0.352 . . . . 25.0 110.86 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -67.92 -42.94 80.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 25.0 110.04 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -66.96 -19.78 65.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.168 0.509 . . . . 25.0 111.012 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.92 -23.38 62.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.308 -0.406 . . . . 25.0 110.455 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.23 -42.31 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 122.296 0.239 . . . . 25.0 111.417 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -74.66 96.82 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.83 0.824 . . . . 25.0 111.454 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -80.0 -24.46 40.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.54 -0.755 . . . . 25.0 111.627 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -76.01 -27.93 57.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 25.0 110.939 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.32 27.59 61.44 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.203 -0.523 . . . . 25.0 112.122 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -107.67 -1.13 21.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.804 1.039 . . . . 25.0 113.804 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 9.94 65.13 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 115.167 0.827 . . . . 25.0 115.167 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -131.43 156.65 45.24 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.712 0.756 . . . . 25.0 112.118 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mt -119.58 120.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -111.6 169.67 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -56.67 -33.57 66.52 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.665 0.666 . . . . 25.0 112.644 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -58.29 -43.78 88.17 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.773 0.797 . . . . 25.0 110.629 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.12 -41.06 43.51 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.91 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.51 -46.14 91.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 25.0 109.343 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.72 -32.63 84.84 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 116.168 -0.469 . . . . 25.0 112.691 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.6 m -64.44 -39.88 94.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.124 0.462 . . . . 25.0 109.864 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.68 -43.03 62.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 121.954 -0.466 . . . . 25.0 110.358 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.35 -44.37 95.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.926 -0.484 . . . . 25.0 112.122 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -71.26 -20.37 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.403 -0.811 . . . . 25.0 112.223 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -76.72 -21.76 54.85 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.881 -0.512 . . . . 25.0 109.7 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.48 -5.96 59.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 174.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.13 6.66 68.83 Favored Glycine 0 C--O 1.226 -0.353 0 CA-C-N 116.09 -0.504 . . . . 25.0 113.428 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -77.11 150.89 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -116.57 59.55 2.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 122.953 0.501 . . . . 25.0 111.904 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.01 158.48 45.84 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 116.199 -2.068 . . . . 25.0 113.676 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.9 p -83.48 162.68 20.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -67.37 -31.13 71.16 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.394 -0.816 . . . . 25.0 110.741 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.76 76.22 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.91 -41.53 91.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.426 0.631 . . . . 25.0 109.624 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.57 -37.11 82.17 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.201 -0.454 . . . . 25.0 111.407 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.63 -41.37 65.57 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.651 -0.25 . . . . 25.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.92 -33.24 74.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.03 -24.79 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.047 0.451 . . . . 25.0 111.164 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -83.7 -45.48 18.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.3 mt -56.52 -38.27 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.364 0.266 . . . . 25.0 111.084 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.27 -19.22 32.54 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.8 -3.97 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 113.796 1.035 . . . . 25.0 113.796 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.78 56.64 2.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.504 0.721 . . . . 25.0 112.486 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.22 -16.45 60.22 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.64 -0.26 40.62 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.143 0.423 . . . . 25.0 112.143 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 16.56 67.53 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.973 1.549 . . . . 25.0 116.973 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -84.31 3.62 34.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.19 7.44 88.45 Favored Glycine 0 C--O 1.24 0.492 0 N-CA-C 115.489 0.955 . . . . 25.0 115.489 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.1 p -141.55 162.93 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.146 0.473 . . . . 25.0 111.388 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.1 mt -93.12 113.92 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 172.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.13 172.18 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.09 -46.03 99.74 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 116.347 1.98 . . . . 25.0 116.347 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.91 -21.33 24.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.415 -3.924 . . . . 25.0 113.686 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -77.45 -31.06 53.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.793 -0.818 . . . . 25.0 108.793 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -65.8 -35.67 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 173.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.79 -36.11 77.86 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.787 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.85 -40.76 92.03 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.952 -0.468 . . . . 25.0 109.919 174.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 ttp . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.47 0.652 . . . . 25.0 109.964 177.308 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.9 mt . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -65.81 -40.48 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.0 -0.438 . . . . 25.0 110.932 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -66.85 -37.25 84.11 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.667 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.27 86.98 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.976 -0.452 . . . . 25.0 110.584 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.88 -43.27 98.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.09 -17.61 64.61 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.34 -37.39 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.38 -38.63 13.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.1 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 54.42 2.74 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.438 1.113 . . . . 25.0 108.633 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -69.03 -8.93 49.66 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -91.91 -8.13 47.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.595 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.53 16.79 79.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 117.967 1.947 . . . . 25.0 117.967 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -89.37 1.39 55.87 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.38 1.622 . . . . 25.0 115.38 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.64 3.27 66.63 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.533 0.973 . . . . 25.0 115.533 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -139.06 141.19 38.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.152 0.476 . . . . 25.0 110.684 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -98.08 105.13 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.1 p -79.56 161.59 25.87 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.687 -0.633 . . . . 25.0 109.565 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -35.54 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.635 0.731 . . . . 25.0 109.569 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.48 87.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.267 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.14 -43.0 65.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.362 -0.211 . . . . 25.0 110.887 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -47.68 83.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.468 -0.493 . . . . 25.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.745 -0.597 . . . . 25.0 111.704 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -43.24 78.28 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 174.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.44 -44.33 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.2 mmt -60.4 -41.31 93.62 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.14 -38.25 90.45 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.968 -0.457 . . . . 25.0 110.574 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.12 -26.15 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.296 . . . . 25.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.42 -20.39 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.701 0.401 . . . . 25.0 110.498 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.28 2.82 57.82 Favored Glycine 0 C--O 1.239 0.435 0 CA-C-N 116.077 -0.511 . . . . 25.0 112.389 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.58 150.8 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.231 0.539 . . . . 25.0 110.144 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -127.69 48.57 2.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.966 -0.561 . . . . 25.0 112.429 -172.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.32 156.36 39.6 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 174.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -85.59 163.22 18.48 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -64.39 -30.21 71.26 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.13 -37.28 83.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.603 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -65.79 -38.22 88.41 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.258 0.552 . . . . 25.0 109.7 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.46 -38.56 74.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.004 0.431 . . . . 25.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.12 -43.1 95.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.076 0.465 . . . . 25.0 110.521 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 mtt -67.95 -34.48 76.66 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.44 -43.55 48.97 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.0 mtm105 -63.84 -29.78 70.94 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 115.75 1.759 . . . . 25.0 115.75 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.17 -24.19 62.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.536 0.607 . . . . 25.0 110.606 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.01 -20.7 17.24 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.694 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -83.54 76.4 9.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.812 0.815 . . . . 25.0 111.509 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.39 -40.81 89.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.377 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -82.47 -13.13 57.22 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.98 79.86 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 117.65 1.82 . . . . 25.0 117.65 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.71 -0.91 52.8 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.768 1.396 . . . . 25.0 114.768 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.2 8.49 74.98 Favored Glycine 0 C--O 1.247 0.966 0 C-N-CA 121.504 -0.379 . . . . 25.0 113.741 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.92 164.98 27.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.21 0.528 . . . . 25.0 109.816 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.6 t -102.1 116.27 45.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.13 173.35 12.68 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.22 -44.51 97.15 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.622 -0.674 . . . . 25.0 112.736 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.3 -42.84 99.7 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.334 1.064 . . . . 25.0 110.904 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.31 -30.02 70.83 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.688 -1.142 . . . . 25.0 111.487 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -68.33 -34.92 76.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.816 -0.553 . . . . 25.0 110.657 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 83.1 t -68.65 -39.06 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -61.47 -42.15 98.34 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 122.076 -0.39 . . . . 25.0 109.97 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.1 ttt -67.48 -19.32 65.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.567 0.699 . . . . 25.0 112.322 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.1 ttm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 121.905 -0.497 . . . . 25.0 111.154 179.414 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--O 1.221 -0.432 0 N-CA-C 114.695 1.369 . . . . 25.0 114.695 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -71.16 -22.74 62.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.067 0.849 . . . . 25.0 110.564 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -77.58 -44.71 27.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -33.83 74.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.755 0.312 . . . . 25.0 110.307 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -67.05 -42.73 84.31 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -65.12 -17.91 64.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.76 -25.26 53.23 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-O 121.987 0.898 . . . . 25.0 110.032 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -94.85 -42.75 8.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.047 -0.979 . . . . 25.0 111.998 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -74.33 104.78 5.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.516 0.674 . . . . 25.0 109.316 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -75.8 -19.29 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.998 1.111 . . . . 25.0 113.998 -172.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -115.08 -12.9 11.88 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.998 1.11 . . . . 25.0 113.998 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.53 12.73 82.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 117.604 1.801 . . . . 25.0 117.604 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.17 -8.05 56.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 2.9 52.36 Favored Glycine 0 C--O 1.229 -0.204 0 N-CA-C 114.782 0.673 . . . . 25.0 114.782 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -134.57 157.2 47.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.02 0.438 . . . . 25.0 110.074 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.7 mt -115.01 115.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 105.621 -1.992 . . . . 25.0 105.621 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -86.01 166.09 16.16 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -61.53 -30.88 70.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.875 -0.516 . . . . 25.0 109.86 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.07 -44.15 89.9 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.403 0.62 . . . . 25.0 110.692 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.6 -40.02 76.9 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.78 -45.69 93.4 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -33.55 87.54 Favored Glycine 0 C--O 1.222 -0.616 0 CA-C-N 115.948 -0.569 . . . . 25.0 112.998 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.2 m -68.17 -42.53 79.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.881 -0.776 . . . . 25.0 110.362 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.31 -41.13 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.6 mmt -56.81 -47.47 80.18 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.422 0.289 . . . . 25.0 110.572 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.43 -35.93 80.78 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -67.54 -26.54 66.37 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.385 0.612 . . . . 25.0 111.276 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.35 -1.32 57.83 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.838 0.855 . . . . 25.0 110.953 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.31 5.71 75.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.196 -0.526 . . . . 25.0 113.916 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -92.38 146.21 23.87 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -133.79 70.42 75.28 Favored Pre-proline 0 N--CA 1.479 0.981 0 O-C-N 121.859 -0.525 . . . . 25.0 111.474 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.76 168.3 24.9 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 120.511 0.808 . . . . 25.0 112.204 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -81.8 163.62 22.23 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.049 -1.463 . . . . 25.0 107.049 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -67.14 -28.11 67.87 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.187 -0.605 . . . . 25.0 110.646 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.16 78.41 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -65.21 -38.22 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 122.558 1.171 . . . . 25.0 109.239 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.79 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.524 -0.735 . . . . 25.0 109.404 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -67.88 -44.03 77.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.52 -0.752 . . . . 25.0 111.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.18 -32.27 72.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.578 1.081 . . . . 25.0 109.949 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.73 -24.88 63.62 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mm -77.25 -52.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.97 -27.83 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.41 0.684 . . . . 25.0 112.459 -174.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.1 -32.61 55.39 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 m -119.5 -12.02 10.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.6 49.07 0.98 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.928 0.891 . . . . 25.0 110.697 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.17 58.75 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.441 -0.787 . . . . 25.0 112.09 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -85.21 -6.36 59.28 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.523 -0.308 . . . . 25.0 111.021 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 19.96 71.22 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 116.109 1.204 . . . . 25.0 116.109 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.46 -3.69 59.0 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.692 1.367 . . . . 25.0 114.692 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.72 0.09 76.01 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 116.945 1.538 . . . . 25.0 116.945 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -142.93 151.87 41.43 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.426 1.113 . . . . 25.0 113.045 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.6 mt -81.93 111.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -87.73 172.43 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.147 -1.056 . . . . 25.0 108.147 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -54.25 -49.34 90.9 Favored Pre-proline 0 CA--C 1.565 1.552 0 N-CA-C 115.435 1.643 . . . . 25.0 115.435 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 -23.18 32.48 Favored 'Trans proline' 0 C--N 1.356 0.944 1 C-N-CA 112.801 -4.333 . . . . 25.0 114.311 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -75.51 -33.05 60.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.23 0.538 . . . . 25.0 110.214 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.85 -37.98 85.5 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.393 -0.817 . . . . 25.0 109.126 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.35 -40.51 96.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.305 -0.861 . . . . 25.0 109.295 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -65.87 -37.32 85.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.748 -0.595 . . . . 25.0 111.034 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.1 ttm . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.325 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -61.22 -41.33 96.66 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.58 -0.7 . . . . 25.0 112.484 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.77 -47.65 77.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.25 -0.58 . . . . 25.0 109.984 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.82 95.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.175 0.297 . . . . 25.0 111.536 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.5 -42.32 99.42 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.319 0.581 . . . . 25.0 110.205 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 mtm105 -70.8 -11.23 60.83 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.305 1.224 . . . . 25.0 114.305 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.1 t -68.48 -43.24 83.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 172.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.41 -45.93 12.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.502 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -80.12 62.28 4.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.211 1.005 . . . . 25.0 109.594 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -70.62 -22.05 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.372 -0.831 . . . . 25.0 113.1 -173.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -88.51 -9.41 52.48 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.852 0.358 . . . . 25.0 110.832 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.55 31.38 70.88 Favored Glycine 0 C--O 1.229 -0.178 0 N-CA-C 116.875 1.51 . . . . 25.0 116.875 173.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -92.45 2.76 56.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.24 2.65 73.65 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -138.94 158.09 44.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.322 -0.517 . . . . 25.0 111.428 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.7 mt -115.99 114.34 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 105.857 -1.905 . . . . 25.0 105.857 171.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.56 163.96 20.07 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.85 70.84 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.747 0.784 . . . . 25.0 110.115 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.44 84.91 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.507 -0.77 . . . . 25.0 110.53 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -69.34 -40.13 77.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.14 -0.35 . . . . 25.0 110.237 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -45.21 91.53 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -63.03 -35.5 80.43 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.658 -0.246 . . . . 25.0 110.895 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -60.73 -49.81 75.98 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.96 -45.82 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.361 -0.382 . . . . 25.0 110.696 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.9 mtt -61.52 -40.52 94.93 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.428 0.899 . . . . 25.0 113.428 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 42.3 m -62.79 -38.7 91.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.407 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.87 -28.03 63.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.48 -21.81 52.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.393 -0.367 . . . . 25.0 110.248 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.79 24.36 35.78 Favored Glycine 0 C--O 1.248 0.986 0 O-C-N 123.732 0.645 . . . . 25.0 111.732 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.21 159.24 31.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.776 0.798 . . . . 25.0 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -131.51 88.12 2.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -124.8 158.54 33.11 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 103.137 -2.912 . . . . 25.0 103.137 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -83.11 166.36 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.13 -33.25 74.13 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 121.676 -0.64 . . . . 25.0 110.47 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.89 -35.38 69.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.778 0.323 . . . . 25.0 111.324 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -66.67 -39.57 88.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.136 0.493 . . . . 25.0 110.311 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -68.4 -35.13 69.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 O-C-N 121.321 -0.862 . . . . 25.0 110.404 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -65.09 -41.35 95.09 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.35 -46.28 89.39 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 123.235 0.614 . . . . 25.0 111.357 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtp -61.08 -38.28 85.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.309 0.576 . . . . 25.0 111.464 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -72.98 -41.44 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -64.43 -35.19 80.11 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.24 -14.28 60.9 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.816 0.734 . . . . 25.0 110.977 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.78 -28.67 13.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.64 -0.255 . . . . 25.0 111.469 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -80.38 76.92 7.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.591 0.71 . . . . 25.0 111.929 -175.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.9 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 123.943 0.897 . . . . 25.0 111.205 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.68 -10.23 57.5 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.21 1.189 . . . . 25.0 114.21 -176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.05 16.54 79.66 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 118.049 1.98 . . . . 25.0 118.049 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.07 -4.84 59.05 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.56 6.24 68.28 Favored Glycine 0 C--O 1.249 1.091 0 O-C-N 121.316 -0.865 . . . . 25.0 113.53 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.84 164.38 27.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 121.48 0.657 . . . . 25.0 109.883 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.3 t -101.66 115.18 42.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -74.98 174.09 9.79 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.09 -46.86 88.9 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.03 -1.044 . . . . 25.0 112.246 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.77 -38.29 90.48 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 121.93 0.871 . . . . 25.0 110.917 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.29 -26.67 64.85 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -67.76 -28.95 68.06 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.618 -0.677 . . . . 25.0 110.315 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.62 -39.85 70.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -62.47 -41.87 99.08 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.805 -0.442 . . . . 25.0 109.805 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.5 ttp -68.94 -19.15 64.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.033 0.444 . . . . 25.0 111.522 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 ttm . . . . . 0 CA--C 1.539 0.557 0 O-C-N 121.832 -0.543 . . . . 25.0 110.839 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 C--O 1.219 -0.506 0 N-CA-C 110.678 -0.119 . . . . 25.0 110.678 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.51 -36.74 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.75 -39.57 76.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.123 -0.631 . . . . 25.0 109.712 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.002 0.43 . . . . 25.0 110.683 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.06 -45.38 81.55 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 t -62.63 -33.9 75.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.676 0.75 . . . . 25.0 110.349 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.03 -24.21 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.69 -35.57 14.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.98 -0.45 . . . . 25.0 110.082 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.77 84.27 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.107 0.956 . . . . 25.0 110.851 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.27 -21.42 64.81 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.442 1.275 . . . . 25.0 114.442 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -104.57 -9.61 18.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 14.01 82.62 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 116.916 1.526 . . . . 25.0 116.916 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -82.5 -1.23 49.8 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 6.65 68.82 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.838 0.695 . . . . 25.0 114.838 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -134.55 154.6 51.38 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 117.705 0.753 . . . . 25.0 110.677 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.3 mt -113.49 123.31 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -97.67 167.2 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -58.71 -33.46 70.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.633 0.73 . . . . 25.0 110.989 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -68.0 -38.46 82.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.02 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.66 -37.48 70.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.62 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.68 -41.92 99.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.0 88.75 Favored Glycine 0 C--O 1.227 -0.324 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.429 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.7 m -65.04 -41.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.988 -0.713 . . . . 25.0 109.755 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.53 -42.58 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -63.46 -38.41 91.03 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.93 -0.481 . . . . 25.0 111.492 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -72.65 -24.14 61.0 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.941 -0.474 . . . . 25.0 112.028 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -70.52 -30.22 66.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 mt -82.09 -4.74 57.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.679 -0.691 . . . . 25.0 110.368 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.57 4.01 70.85 Favored Glycine 0 N--CA 1.458 0.146 0 N-CA-C 115.136 0.814 . . . . 25.0 115.136 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -77.13 159.58 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.142 -0.622 . . . . 25.0 111.873 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -131.84 70.68 80.9 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 122.5 0.32 . . . . 25.0 110.987 174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.72 167.46 26.31 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 118.458 -0.561 . . . . 25.0 111.184 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -87.34 162.67 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.722 -1.585 . . . . 25.0 106.722 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.87 -30.04 70.58 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.443 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.39 89.97 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.426 -0.171 . . . . 25.0 111.254 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.09 -42.91 88.69 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.832 0.825 . . . . 25.0 108.998 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.56 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.764 -0.585 . . . . 25.0 109.804 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.94 -41.87 77.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.603 -0.713 . . . . 25.0 112.353 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -31.51 66.93 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.992 1.269 . . . . 25.0 109.825 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -64.7 -24.94 67.73 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.914 -0.314 . . . . 25.0 111.384 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mm -81.4 -50.12 17.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.85 -32.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.328 0.651 . . . . 25.0 112.634 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.51 -22.72 56.06 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.23 0.538 . . . . 25.0 112.408 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -115.87 -32.05 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.198 0.523 . . . . 25.0 111.364 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -79.37 59.63 2.93 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.704 0.802 . . . . 25.0 112.74 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -23.39 66.54 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.107 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -78.99 -16.93 56.24 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.58 13.06 83.31 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 117.397 1.719 . . . . 25.0 117.397 173.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -80.18 -0.34 35.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.503 1.652 . . . . 25.0 114.323 -176.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.66 1.56 82.93 Favored Glycine 0 C--O 1.244 0.728 0 N-CA-C 115.4 0.92 . . . . 25.0 115.4 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -133.9 160.49 37.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.7 mt -104.63 107.82 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 105.095 -2.187 . . . . 25.0 105.095 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -88.26 -179.47 6.14 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.89 -46.98 99.44 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 116.287 1.958 . . . . 25.0 116.287 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.62 -21.35 25.69 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 112.957 -4.229 . . . . 25.0 113.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -67.24 -37.83 84.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -39.48 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 175.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.9 m -67.39 -37.74 83.59 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.178 0.513 . . . . 25.0 111.135 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.1 ttp . . . . . 0 C--N 1.323 -0.56 0 O-C-N 121.255 -0.903 . . . . 25.0 109.926 177.2 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.0 mt . . . . . 0 C--O 1.236 0.355 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -67.21 -34.42 77.45 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.63 -44.28 96.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 118.664 0.666 . . . . 25.0 109.658 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.92 87.88 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.358 0.599 . . . . 25.0 110.423 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.37 -41.6 98.75 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.143 -0.481 . . . . 25.0 110.158 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.74 -19.14 65.78 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.79 -39.55 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -98.24 -36.9 9.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -80.54 78.37 7.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.75 0.786 . . . . 25.0 109.773 177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -70.44 -24.03 62.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.141 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -70.91 -26.4 63.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.185 0.517 . . . . 25.0 110.635 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 20.95 76.79 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.881 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -94.25 1.46 55.98 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.309 1.596 . . . . 25.0 115.309 -172.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.25 0.92 62.95 Favored Glycine 0 N--CA 1.458 0.159 0 N-CA-C 115.926 1.131 . . . . 25.0 115.926 176.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -133.93 145.71 49.84 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.222 0.511 . . . . 25.0 109.932 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -105.78 126.37 61.14 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 105.01 -2.219 . . . . 25.0 105.01 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.8 p -110.34 168.13 9.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.533 -0.729 . . . . 25.0 110.777 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.42 76.92 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.218 0.532 . . . . 25.0 110.573 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.39 70.12 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.803 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -86.76 -38.67 16.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 25.0 111.102 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.17 -40.94 97.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -24.75 63.79 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 120.308 -0.557 . . . . 25.0 110.878 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -43.29 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.27 -42.64 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.999 -0.546 . . . . 25.0 109.612 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -62.09 -41.94 98.7 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.52 0.193 . . . . 25.0 111.52 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.6 m -62.6 -38.8 91.55 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.689 -0.632 . . . . 25.0 110.395 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.67 -23.53 60.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.769 0.285 . . . . 25.0 111.769 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.02 -19.33 58.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.913 0.387 . . . . 25.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.46 -11.63 36.16 Favored Glycine 0 CA--C 1.511 -0.159 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.652 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.46 152.94 44.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.232 0.539 . . . . 25.0 111.274 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -136.56 61.15 1.64 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.348 0.594 . . . . 25.0 111.901 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.4 163.29 27.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -82.71 161.7 22.02 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 105.808 -1.923 . . . . 25.0 105.808 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.49 -30.74 71.81 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.736 -0.602 . . . . 25.0 109.944 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -68.08 -36.42 79.79 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.191 0.52 . . . . 25.0 111.585 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.7 -36.33 83.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.695 0.76 . . . . 25.0 108.986 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.73 -32.5 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.07 -40.45 96.29 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.13 -38.75 87.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.527 -0.306 . . . . 25.0 111.681 173.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.5 mtt -67.1 -29.91 69.79 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.869 0.366 . . . . 25.0 111.602 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.3 mm -78.91 -39.19 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.68 -33.09 69.76 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 115.2 1.556 . . . . 25.0 115.2 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -68.96 -18.72 64.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.108 -1.037 . . . . 25.0 111.224 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.65 -7.96 15.54 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.65 77.93 7.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.922 0.868 . . . . 25.0 110.619 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.29 -42.5 93.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.181 -0.918 . . . . 25.0 112.374 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.51 -4.55 57.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.79 24.25 72.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.661 1.024 . . . . 25.0 115.661 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -85.07 1.34 48.19 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.684 1.242 . . . . 25.0 113.456 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.35 8.95 84.41 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-O 121.71 0.616 . . . . 25.0 113.601 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -139.7 164.44 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 25.0 110.603 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.97 116.02 42.34 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 104.966 -2.235 . . . . 25.0 104.966 170.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -87.19 171.75 10.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -59.5 -44.31 93.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -41.16 93.49 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.634 -0.666 . . . . 25.0 110.932 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.18 -33.81 76.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.099 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -35.86 81.32 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.921 -0.487 . . . . 25.0 110.796 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.25 -39.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 175.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -39.07 93.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.018 -0.426 . . . . 25.0 110.501 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttt -69.06 -17.08 63.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.615 0.766 . . . . 25.0 111.595 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 C--N 1.322 -0.601 0 O-C-N 121.878 -0.514 . . . . 25.0 111.698 179.178 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 119.625 -0.226 . . . . 25.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -69.25 -40.22 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.564 -0.71 . . . . 25.0 109.324 174.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -67.21 -42.6 83.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.98 74.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.157 -0.474 . . . . 25.0 111.321 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -62.53 -45.36 93.31 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 122.278 -0.264 . . . . 25.0 110.621 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -71.05 -15.67 62.55 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.422 0.629 . . . . 25.0 112.618 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -32.83 71.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 174.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.54 -44.47 9.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 25.0 111.52 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -78.81 93.32 4.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.772 0.796 . . . . 25.0 109.938 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -78.74 -24.21 44.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.547 -0.751 . . . . 25.0 110.901 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.73 -37.18 67.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.052 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.7 19.82 65.03 Favored Glycine 0 C--O 1.223 -0.545 0 CA-C-N 115.806 -0.634 . . . . 25.0 112.434 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.97 -13.58 38.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.4 6.35 41.68 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.917 0.727 . . . . 25.0 114.917 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -133.97 155.8 49.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.436 0.618 . . . . 25.0 110.527 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mt -119.71 129.38 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 176.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -114.32 173.77 6.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -55.95 -36.75 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.093 0.406 . . . . 25.0 111.99 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -59.76 -40.59 88.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 25.0 111.028 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.17 -43.31 24.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.982 -177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -44.88 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -34.63 90.44 Favored Glycine 0 C--O 1.216 -0.988 0 CA-C-N 115.688 -0.687 . . . . 25.0 113.031 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -61.22 -44.16 97.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.386 1.093 . . . . 25.0 109.441 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.81 -41.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.769 -0.372 . . . . 25.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmt -64.97 -36.49 84.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.683 -0.636 . . . . 25.0 111.856 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -73.48 -23.88 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.632 -0.667 . . . . 25.0 110.858 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -20.63 61.44 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.068 0.461 . . . . 25.0 109.778 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.92 7.49 39.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.123 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 4.2 88.06 Favored Glycine 0 C--O 1.23 -0.113 0 N-CA-C 114.561 0.584 . . . . 25.0 114.561 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -82.04 161.59 22.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -133.5 64.07 67.17 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.941 -0.475 . . . . 25.0 111.824 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.21 169.02 23.42 Favored 'Trans proline' 0 C--N 1.351 0.676 0 O-C-N 121.867 0.404 . . . . 25.0 112.79 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.1 p -95.22 160.5 14.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.29 -24.46 62.15 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.476 -0.765 . . . . 25.0 111.224 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.82 -39.02 64.37 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 121.234 0.54 . . . . 25.0 109.995 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.63 -44.04 97.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.16 -0.927 . . . . 25.0 109.144 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.72 -33.37 75.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.992 -0.549 . . . . 25.0 110.318 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -69.84 -40.53 75.76 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.925 0.713 . . . . 25.0 112.925 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -70.1 -31.46 69.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.88 1.218 . . . . 25.0 110.552 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.6 mtt -66.7 -28.08 68.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.276 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.48 -43.13 26.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.2 -32.97 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.4 0.28 . . . . 25.0 111.235 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.31 -25.38 61.83 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.28 -9.88 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -86.31 56.67 4.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.861 0.839 . . . . 25.0 110.853 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -20.53 63.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -89.09 -8.07 54.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.14 16.41 70.87 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 116.15 1.22 . . . . 25.0 116.15 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.97 -1.84 55.42 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.074 1.437 . . . . 25.0 114.139 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.24 -3.17 85.56 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 116.776 1.471 . . . . 25.0 116.776 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -136.7 160.45 38.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.088 0.944 . . . . 25.0 111.015 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.0 mt -88.45 115.39 28.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -92.04 172.47 8.42 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -54.14 -45.9 98.96 Favored Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 117.296 2.332 . . . . 25.0 117.296 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.32 -22.96 24.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 113.335 -3.976 . . . . 25.0 113.484 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.61 -31.53 57.49 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.51 -37.3 84.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.88 -39.71 92.86 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -69.31 -39.5 78.23 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.135 0.493 . . . . 25.0 111.047 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.5 ttp . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 25.0 109.487 177.602 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.9 mt . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -56.31 -44.65 80.12 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.388 0.675 . . . . 25.0 109.613 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -47.15 79.16 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.024 -0.271 . . . . 25.0 110.773 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.57 83.24 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.186 0.517 . . . . 25.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.51 -42.44 82.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -66.51 -15.83 63.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -60.6 -39.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -103.29 -35.63 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -81.91 69.45 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -64.95 -30.24 71.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.051 1.13 . . . . 25.0 114.051 -170.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -91.56 -2.39 57.16 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.92 12.54 68.19 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 116.463 1.345 . . . . 25.0 116.463 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.94 2.03 15.94 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.09 -0.92 73.06 Favored Glycine 0 CA--C 1.516 0.129 0 N-CA-C 115.422 0.929 . . . . 25.0 115.422 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -133.68 139.2 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -97.54 114.9 35.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.249 -1.76 . . . . 25.0 106.249 172.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.6 p -88.85 162.16 16.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.85 76.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.92 0.39 . . . . 25.0 110.787 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.13 95.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 25.0 110.682 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.43 -42.05 79.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 25.0 111.0 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.75 -48.57 80.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -61.44 -34.82 76.04 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -59.73 -49.33 78.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.236 0.541 . . . . 25.0 110.214 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.34 -42.62 96.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.342 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.2 mtp -64.45 -37.31 87.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 m -62.17 -37.39 85.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.997 0.427 . . . . 25.0 110.041 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -72.3 -23.83 61.24 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.829 -0.544 . . . . 25.0 110.752 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.16 -13.43 59.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 25.0 110.036 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.11 51.55 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-N 116.181 -0.463 . . . . 25.0 113.184 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.75 151.26 43.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.113 0.483 . . . . 25.0 111.303 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.81 53.32 2.01 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.087 0.47 . . . . 25.0 111.849 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.14 159.41 34.72 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.282 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.1 p -85.31 171.02 12.22 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.06 -37.07 81.35 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -73.23 -35.2 66.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.823 -0.626 . . . . 25.0 112.152 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -66.82 -36.96 83.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.11 -35.57 53.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.25 -41.32 98.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.75 -33.02 74.73 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.562 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.6 mtp -68.58 -23.73 64.52 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.8 mm -82.07 -40.16 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -58.52 -32.46 68.87 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.179 1.177 . . . . 25.0 114.179 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -69.01 -10.89 59.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.901 0.334 . . . . 25.0 111.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -121.3 -25.3 5.26 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.61 83.42 4.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.7 mt -68.14 -43.95 84.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.213 -0.903 . . . . 25.0 110.672 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -81.9 -13.31 57.74 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.95 16.88 78.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 116.789 1.476 . . . . 25.0 116.789 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -83.44 -0.13 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 9.87 79.04 Favored Glycine 0 C--O 1.239 0.415 0 C-N-CA 121.412 -0.423 . . . . 25.0 113.496 177.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -137.39 166.83 22.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -105.39 116.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -81.3 170.57 15.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -59.96 -48.19 82.73 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -66.15 -36.01 81.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.454 0.645 . . . . 25.0 111.885 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.76 -36.32 83.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.311 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.41 -37.86 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.255 -0.278 . . . . 25.0 110.285 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.64 -42.17 94.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.28 -44.02 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.961 -0.462 . . . . 25.0 111.925 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.7 ptm -65.98 -18.82 65.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.105 0.479 . . . . 25.0 111.727 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.0 ttm . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.686 178.384 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 C--O 1.224 -0.279 0 N-CA-C 110.526 -0.176 . . . . 25.0 110.526 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -71.32 -38.08 71.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.197 -0.314 . . . . 25.0 110.445 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.52 -41.1 80.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.462 -0.57 . . . . 25.0 109.462 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.5 81.31 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.985 0.421 . . . . 25.0 110.689 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.26 -43.21 92.01 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.485 -0.561 . . . . 25.0 109.485 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -67.82 -15.31 63.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.651 0.262 . . . . 25.0 111.648 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -85.95 -26.49 25.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.659 0.742 . . . . 25.0 109.65 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -83.45 -40.24 19.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -72.32 111.57 7.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -82.15 -17.36 46.61 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.17 -24.87 17.35 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.186 -0.916 . . . . 25.0 110.34 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.11 81.94 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.934 -0.575 . . . . 25.0 114.35 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.77 -22.11 34.39 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.882 1.438 . . . . 25.0 114.882 -174.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.18 -1.44 14.55 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.4 p -133.25 151.44 51.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 117.479 0.64 . . . . 25.0 111.976 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -110.89 127.63 67.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.166 -1.79 . . . . 25.0 106.166 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -112.02 172.17 7.06 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 110.14 -0.319 . . . . 25.0 110.14 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.14 -40.24 67.22 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -62.54 -38.74 91.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.134 0.492 . . . . 25.0 111.801 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.17 -44.22 60.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.044 0.45 . . . . 25.0 110.677 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.91 -41.06 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.69 -33.96 88.64 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.663 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -63.0 -45.29 93.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -67.36 -45.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.737 0.303 . . . . 25.0 110.435 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mmm -60.47 -44.68 95.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.019 0.438 . . . . 25.0 112.023 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -70.29 -31.67 69.11 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.534 -0.729 . . . . 25.0 111.043 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -63.98 -34.78 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.09 8.01 11.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.216 -0.447 . . . . 25.0 111.963 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.12 10.98 84.28 Favored Glycine 0 C--O 1.225 -0.433 0 N-CA-C 114.874 0.71 . . . . 25.0 114.874 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -77.62 -3.2 39.69 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 117.764 0.782 . . . . 25.0 111.742 -176.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 31.72 51.72 0.63 Allowed Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 118.186 2.661 . . . . 25.0 118.186 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -82.0 164.84 17.56 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 115.817 -2.322 . . . . 25.0 114.574 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.6 p -96.07 165.46 12.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 171.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -69.66 -18.99 63.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.97 -40.67 60.6 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 110.474 -0.195 . . . . 25.0 110.474 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.21 -40.53 94.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.344 1.069 . . . . 25.0 109.029 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.68 -28.05 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.289 -0.868 . . . . 25.0 110.607 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -72.53 -47.24 49.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 119.296 -0.383 . . . . 25.0 111.489 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 -31.98 70.14 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 119.586 -0.846 . . . . 25.0 111.829 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.98 -27.07 67.14 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.101 -0.375 . . . . 25.0 111.642 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -79.85 -42.19 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.99 -31.48 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 117.848 0.295 . . . . 25.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.04 -17.05 56.13 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 t -118.56 -25.26 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 120.896 0.379 . . . . 25.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.14 53.94 1.02 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.437 1.273 . . . . 25.0 114.437 -175.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -14.01 62.17 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.063 0.458 . . . . 25.0 112.172 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -85.78 -16.34 39.14 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 123.601 0.76 . . . . 25.0 111.822 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.13 88.78 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 117.86 1.904 . . . . 25.0 117.86 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -1.12 35.08 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.495 1.647 . . . . 25.0 114.909 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.1 -0.49 87.35 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 117.228 1.651 . . . . 25.0 117.228 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.7 p -138.79 168.35 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.791 0.795 . . . . 25.0 111.182 -176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -103.14 103.23 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.16 171.03 14.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -53.5 -49.64 87.46 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 114.779 1.4 . . . . 25.0 114.779 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.74 -24.94 54.13 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 114.385 -3.277 . . . . 25.0 114.428 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -78.72 -27.0 44.81 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.817 -0.552 . . . . 25.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.94 -38.03 82.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 174.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.37 -40.9 94.14 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.921 174.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -65.02 -36.97 86.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.012 0.434 . . . . 25.0 110.884 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.9 ttp . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 177.016 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.235 0.299 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -66.83 -40.6 88.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.67 177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -39.49 85.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.51 91.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.52 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -69.26 -15.06 63.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.62 -42.46 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 172.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -78.43 -47.17 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.147 0.499 . . . . 25.0 109.958 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -84.39 65.42 8.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.014 0.912 . . . . 25.0 109.253 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -66.75 -20.19 65.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -91.44 -4.09 55.97 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.33 23.11 76.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 117.874 1.909 . . . . 25.0 117.874 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.0 -25.95 65.66 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.183 1.491 . . . . 25.0 113.482 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.46 3.61 69.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.477 -1.449 . . . . 25.0 109.477 -167.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -142.74 134.49 26.77 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.478 0.711 . . . . 25.0 111.193 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.83 133.38 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.5 p -109.74 168.58 9.31 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.238 -0.282 . . . . 25.0 110.238 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.69 79.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.945 0.402 . . . . 25.0 111.532 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.02 71.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.262 0.553 . . . . 25.0 111.504 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -83.46 -42.76 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.083 -0.508 . . . . 25.0 110.619 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.19 -44.06 97.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.191 -0.3 . . . . 25.0 110.191 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.03 66.33 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.73 -0.606 . . . . 25.0 111.59 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -68.07 -42.85 79.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.05 -45.4 94.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.2 mtt -62.47 -35.04 78.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.202 0.815 . . . . 25.0 113.202 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.7 m -59.01 -41.23 87.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.66 -25.56 60.33 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.803 0.297 . . . . 25.0 111.803 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -74.32 -19.95 60.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.47 14.03 24.82 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.124 -0.489 . . . . 25.0 114.07 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.59 163.07 28.15 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.86 37.75 3.24 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 122.132 0.968 . . . . 25.0 109.89 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.71 163.22 24.68 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.217 -1.356 . . . . 25.0 108.298 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -92.78 163.17 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -32.85 70.26 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.24 -40.63 77.79 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.501 0.72 . . . . 25.0 112.278 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.62 -38.96 90.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.722 0.773 . . . . 25.0 109.402 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.39 -35.31 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.165 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.41 -39.1 93.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.347 0.594 . . . . 25.0 110.303 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.08 -28.88 65.78 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.507 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.0 mtt -72.64 -23.66 60.94 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.706 -0.621 . . . . 25.0 111.656 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.96 -41.64 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 171.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -65.84 -31.3 72.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.104 1.52 . . . . 25.0 115.104 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -70.54 -17.87 62.93 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.807 -0.757 . . . . 25.0 111.344 177.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.75 -1.63 29.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.153 0.502 . . . . 25.0 110.502 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -86.93 80.97 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.811 0.815 . . . . 25.0 112.109 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.55 -42.87 90.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.447 -0.797 . . . . 25.0 111.728 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -88.81 -4.97 58.36 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.433 1.272 . . . . 25.0 114.433 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.66 18.77 76.99 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 116.461 1.344 . . . . 25.0 116.461 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -85.91 -2.11 57.95 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.34 8.9 85.7 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 114.529 0.572 . . . . 25.0 114.529 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -136.63 169.86 17.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.285 0.543 . . . . 25.0 109.658 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.1 t -101.33 117.13 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.08 168.05 20.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.571 -1.641 . . . . 25.0 106.571 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.24 -46.2 86.37 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 112.837 0.681 . . . . 25.0 112.837 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.56 -37.64 87.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.484 -0.76 . . . . 25.0 111.509 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.27 -37.88 88.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.68 -41.17 92.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 25.0 110.986 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.97 -41.27 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.22 -48.03 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.029 -0.42 . . . . 25.0 111.69 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.2 ptm -67.87 -21.13 65.18 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.742 -0.599 . . . . 25.0 111.747 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.3 tpp . . . . . 0 C--O 1.239 0.503 0 O-C-N 122.094 -0.379 . . . . 25.0 111.27 176.655 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 . . . . . 0 C--O 1.223 -0.312 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -69.17 -40.54 78.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -73.49 -35.9 65.72 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.96 -0.696 . . . . 25.0 109.482 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.05 73.45 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.734 0.302 . . . . 25.0 110.719 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -68.41 -44.17 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -65.98 -22.48 66.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.992 0.425 . . . . 25.0 111.565 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.9 tp -62.72 -36.31 82.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 25.0 109.486 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -89.93 -39.14 13.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.094 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -79.68 80.83 6.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.899 0.856 . . . . 25.0 110.392 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.67 -21.54 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.482 1.289 . . . . 25.0 114.482 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -112.34 0.54 15.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.773 0.657 . . . . 25.0 112.773 -175.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 18.26 75.95 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -80.1 -1.15 38.85 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.091 0.946 . . . . 25.0 113.182 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.09 -0.26 75.43 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.906 0.722 . . . . 25.0 114.906 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -134.86 155.46 50.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 117.148 0.474 . . . . 25.0 111.385 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -108.95 118.26 56.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.726 -1.213 . . . . 25.0 107.726 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.0 p -91.97 168.75 11.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.654 -0.703 . . . . 25.0 109.407 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.2 p -61.98 -31.83 72.23 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.45 -47.89 80.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.424 0.631 . . . . 25.0 109.708 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.2 -40.18 68.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.465 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.32 -43.29 99.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -34.26 88.78 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.764 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -44.95 94.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.399 0.6 . . . . 25.0 109.769 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.62 -42.21 86.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.991 -0.283 . . . . 25.0 110.348 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.6 mtt -62.91 -39.22 93.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.817 -0.552 . . . . 25.0 112.43 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.85 -21.64 60.03 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.683 -0.636 . . . . 25.0 111.37 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -73.38 -26.27 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.036 0.446 . . . . 25.0 109.876 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -90.98 0.8 57.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.716 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.34 0.09 67.93 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 116.624 1.41 . . . . 25.0 116.624 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -79.14 151.74 31.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 118.793 1.297 . . . . 25.0 109.275 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -115.6 60.54 1.6 Allowed Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.016 0.527 . . . . 25.0 112.004 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.66 153.98 49.19 Favored 'Trans proline' 0 C--O 1.25 1.111 0 C-N-CA 115.623 -2.452 . . . . 25.0 114.806 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -82.03 165.69 20.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.782 -1.099 . . . . 25.0 109.022 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -65.68 -32.01 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.957 -0.465 . . . . 25.0 111.202 177.587 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.52 80.24 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.819 0.342 . . . . 25.0 110.386 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.19 -46.0 89.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.827 0.822 . . . . 25.0 109.598 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.61 -30.0 67.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.323 -0.853 . . . . 25.0 110.755 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.72 -48.51 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.11 -38.33 82.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.746 0.307 . . . . 25.0 111.461 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.86 -29.52 70.7 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.906 0.336 . . . . 25.0 111.906 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.75 -44.42 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -58.4 -32.53 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 122.628 0.371 . . . . 25.0 110.974 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.38 -17.66 32.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.062 1.504 . . . . 25.0 115.062 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -13.58 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.897 1.073 . . . . 25.0 113.897 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -82.99 59.85 5.13 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.496 0.665 . . . . 25.0 112.491 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.86 67.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.255 0.55 . . . . 25.0 111.832 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -81.18 -18.73 45.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.609 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.48 82.24 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 117.945 1.938 . . . . 25.0 117.945 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -80.34 3.07 22.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.418 1.609 . . . . 25.0 114.545 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.9 3.58 87.8 Favored Glycine 0 C--O 1.239 0.457 0 N-CA-C 115.271 0.868 . . . . 25.0 115.271 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -139.47 164.71 29.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.33 0.565 . . . . 25.0 111.518 -177.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.19 114.01 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 105.987 -1.857 . . . . 25.0 105.987 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.24 174.0 8.09 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -55.08 -46.63 99.63 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 116.469 2.026 . . . . 25.0 116.469 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.53 -22.22 24.87 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.404 -3.931 . . . . 25.0 113.635 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.83 -31.85 57.18 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.77 -37.47 82.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -61.6 -41.81 97.98 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.8 m -66.78 -38.53 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.614 0.721 . . . . 25.0 111.495 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.9 tmm? . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 123.383 0.673 . . . . 25.0 109.787 178.835 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -66.69 -42.81 85.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.036 -0.415 . . . . 25.0 111.09 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.01 -47.34 86.9 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.63 82.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.392 . . . . 25.0 111.7 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.89 -40.81 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.013 0.435 . . . . 25.0 109.907 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -70.85 -19.17 62.67 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.15 -37.82 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.293 -1.002 . . . . 25.0 108.293 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -86.17 -45.22 11.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.196 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -84.48 71.96 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.706 0.765 . . . . 25.0 110.635 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -71.54 -15.82 62.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.698 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -72.19 -26.18 61.96 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.98 20.34 77.75 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.76 2.62 56.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.87 3.81 70.19 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 114.786 0.674 . . . . 25.0 114.786 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -139.42 140.96 37.5 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.855 0.328 . . . . 25.0 110.51 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt -99.79 122.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 172.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.7 p -89.29 164.74 14.8 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.846 0.355 . . . . 25.0 110.084 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.17 76.17 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.38 96.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.202 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.17 -39.8 78.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.452 -0.155 . . . . 25.0 110.736 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.38 -45.1 89.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.415 0.626 . . . . 25.0 109.369 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -59.6 -40.3 87.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.591 -0.731 . . . . 25.0 110.707 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.71 -48.42 79.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.382 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.48 -45.42 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mtm -64.02 -37.81 88.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 55.9 m -59.84 -38.75 82.95 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.196 -0.315 . . . . 25.0 110.242 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.65 -25.8 61.41 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 122.107 -0.371 . . . . 25.0 111.452 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.2 mt -76.82 -14.66 59.89 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.46 -8.76 57.02 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 111.887 -0.485 . . . . 25.0 111.887 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.02 148.53 45.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.356 0.598 . . . . 25.0 110.861 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -136.02 56.4 1.82 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.103 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.35 159.94 33.66 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.6 -1.629 . . . . 25.0 106.6 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.8 p -83.5 167.14 17.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.72 -33.73 74.55 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 121.757 0.789 . . . . 25.0 110.504 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.83 -43.5 83.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.923 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -36.17 83.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.251 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.16 -41.19 86.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.64 -41.89 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.922 0.391 . . . . 25.0 110.801 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.74 -43.46 85.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.289 0.566 . . . . 25.0 110.687 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.7 ttm -64.07 -40.03 95.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.28 -41.32 78.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.496 -0.774 . . . . 25.0 109.171 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -62.1 -30.27 70.9 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -175.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.08 -17.21 62.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.143 0.497 . . . . 25.0 111.784 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.83 -20.04 14.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.729 0.3 . . . . 25.0 111.478 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -82.76 81.71 8.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -64.23 -44.48 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.761 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -85.69 -8.27 58.3 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -174.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.58 17.54 80.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 116.204 1.242 . . . . 25.0 116.204 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -82.38 0.04 43.75 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.582 1.191 . . . . 25.0 113.706 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.43 5.12 85.3 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.66 -0.305 . . . . 25.0 113.731 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -135.67 166.63 22.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.365 -0.491 . . . . 25.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -101.63 115.18 42.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -77.62 170.42 16.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -59.83 -43.16 94.7 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.645 -0.659 . . . . 25.0 112.407 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.31 -36.37 79.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.863 0.84 . . . . 25.0 111.147 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.61 -33.67 74.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.388 -0.823 . . . . 25.0 110.358 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.42 -41.54 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.97 -39.86 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.96 -51.28 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.807 -0.558 . . . . 25.0 110.738 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.36 -17.97 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.816 -0.552 . . . . 25.0 112.081 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 121.81 -0.556 . . . . 25.0 109.535 176.805 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 . . . . . 0 C--O 1.224 -0.277 0 N-CA-C 111.426 0.158 . . . . 25.0 111.426 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.0 -41.15 71.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.189 -0.319 . . . . 25.0 110.547 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.56 -35.28 67.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.852 -0.739 . . . . 25.0 109.351 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.11 74.7 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.004 0.431 . . . . 25.0 110.138 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -67.77 -43.86 78.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.127 -0.358 . . . . 25.0 110.189 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -65.54 -21.32 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.01 -39.91 91.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -88.29 -37.92 15.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.545 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.96 85.94 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.015 0.912 . . . . 25.0 111.204 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -69.91 -24.26 63.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 25.0 112.057 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.09 -27.89 54.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 121.109 -0.236 . . . . 25.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.53 22.99 76.52 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.429 -0.415 . . . . 25.0 112.966 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -102.25 -0.59 32.73 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.233 1.197 . . . . 25.0 114.233 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.98 8.4 61.77 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.724 0.65 . . . . 25.0 114.724 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -130.29 155.8 45.71 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.395 0.597 . . . . 25.0 111.007 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.6 mt -119.27 120.2 63.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 169.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -109.28 171.03 7.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 t -55.61 -33.79 64.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -58.83 -45.52 89.81 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.733 0.778 . . . . 25.0 110.544 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.39 -38.82 59.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.491 -0.777 . . . . 25.0 111.332 -175.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.79 -44.87 96.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.1 91.61 Favored Glycine 0 C--O 1.223 -0.564 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.394 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.2 m -64.34 -43.2 95.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.019 -0.695 . . . . 25.0 110.509 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.59 -40.5 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 25.0 110.058 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.7 -40.27 94.43 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.937 -0.477 . . . . 25.0 110.967 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.61 -18.19 61.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.391 -0.818 . . . . 25.0 112.274 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -72.46 -26.91 62.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 171.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -92.0 5.28 50.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.895 0.878 . . . . 25.0 110.051 176.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.11 -7.06 68.39 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 114.971 0.748 . . . . 25.0 114.971 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -79.53 128.52 33.48 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.25 68.19 79.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 25.0 111.387 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.83 172.46 15.3 Favored 'Trans proline' 0 C--O 1.242 0.719 0 O-C-N 121.836 0.387 . . . . 25.0 112.256 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -77.23 166.34 23.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.479 0.657 . . . . 25.0 110.001 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -65.97 -27.51 68.2 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.06 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.443 -0.16 . . . . 25.0 110.618 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.65 -41.33 96.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.917 0.865 . . . . 25.0 108.958 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.14 -34.8 78.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.909 -0.495 . . . . 25.0 110.371 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -67.19 -45.72 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.44 -31.2 69.38 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.313 -0.955 . . . . 25.0 111.398 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 81.2 mtp -69.95 -28.34 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 25.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.6 mm -73.39 -46.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 174.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.56 -29.01 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.923 0.489 . . . . 25.0 112.247 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -23.71 51.97 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.88 -34.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.084 0.468 . . . . 25.0 111.012 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -78.98 63.4 3.65 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.96 0.904 . . . . 25.0 113.429 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.69 67.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.565 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.13 -16.21 53.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 11.5 85.47 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.055 1.982 . . . . 25.0 118.055 173.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -77.21 4.93 9.35 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.473 1.636 . . . . 25.0 114.988 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.15 3.65 88.78 Favored Glycine 0 C--O 1.245 0.803 0 N-CA-C 114.248 0.459 . . . . 25.0 114.248 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.5 p -140.66 166.34 25.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.532 0.682 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -112.65 102.95 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 175.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -77.18 176.55 8.63 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -54.55 -47.12 98.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -65.45 -26.85 54.86 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 114.29 -3.34 . . . . 25.0 113.86 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -75.96 -28.93 58.1 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.985 -0.447 . . . . 25.0 110.154 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.27 -37.06 84.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.896 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 m -64.5 -38.06 89.71 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 122.013 -0.43 . . . . 25.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.5 ttp . . . . . 0 C--N 1.324 -0.542 0 O-C-N 121.793 -0.567 . . . . 25.0 110.218 178.49 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--O 1.227 -0.125 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -65.11 -40.43 94.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.685 0.254 . . . . 25.0 111.685 -178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.49 -46.19 84.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.874 0.369 . . . . 25.0 110.701 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.55 -40.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.514 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -63.78 -25.71 68.3 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.59 -43.17 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -82.68 -38.69 23.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 25.0 110.91 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -88.1 54.98 3.26 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.134 0.969 . . . . 25.0 109.146 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -2.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 115.264 1.579 . . . . 25.0 115.264 -175.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 p30 -114.93 1.51 14.04 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.41 41.0 86.56 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -83.18 -27.13 30.26 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.545 1.173 . . . . 25.0 111.459 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.1 4.03 69.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.995 -1.642 . . . . 25.0 108.995 -167.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -142.05 137.51 31.11 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 123.797 0.839 . . . . 25.0 110.246 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -96.11 114.22 32.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.8 p -84.11 164.46 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.705 -0.622 . . . . 25.0 110.407 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.35 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.202 0.525 . . . . 25.0 110.01 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.61 78.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.069 0.461 . . . . 25.0 111.506 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.04 -41.16 64.49 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.114 -0.366 . . . . 25.0 110.88 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.93 -42.46 97.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -58.07 -37.84 75.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 25.0 111.38 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.58 -46.88 77.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.062 -0.399 . . . . 25.0 110.924 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.64 -45.91 96.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.387 -0.598 . . . . 25.0 109.387 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mtt -59.52 -37.71 79.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.8 m -62.25 -40.0 94.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -72.46 -26.45 61.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.774 0.321 . . . . 25.0 111.141 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.79 -14.03 59.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.03 0.443 . . . . 25.0 110.031 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.81 26.16 35.84 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.245 -0.434 . . . . 25.0 113.212 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 162.9 28.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.441 0.621 . . . . 25.0 111.821 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -131.17 35.57 3.9 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.627 0.727 . . . . 25.0 110.651 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.95 156.28 26.05 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.282 -1.326 . . . . 25.0 109.133 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.4 p -83.87 165.44 18.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 177.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.0 -34.07 77.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.86 -35.46 74.72 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.395 0.678 . . . . 25.0 111.498 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.09 -37.06 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.353 0.597 . . . . 25.0 110.266 177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.88 -39.17 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.65 -44.73 92.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.235 0.541 . . . . 25.0 111.591 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.45 -30.44 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.16 -0.616 . . . . 25.0 111.077 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mtp -67.94 -38.5 82.9 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.892 -0.505 . . . . 25.0 111.187 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.55 -39.65 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.4 -22.21 65.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.767 1.395 . . . . 25.0 114.767 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.83 -25.09 63.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 118.023 0.374 . . . . 25.0 111.351 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.99 -15.17 14.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.928 0.394 . . . . 25.0 111.409 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -85.37 78.94 9.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.778 0.799 . . . . 25.0 111.6 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.52 -42.34 94.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.079 -0.964 . . . . 25.0 111.036 -177.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -81.62 -13.79 57.52 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.06 14.36 79.43 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 117.647 1.819 . . . . 25.0 117.647 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.61 -0.04 40.59 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.85 1.325 . . . . 25.0 114.548 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.08 8.3 79.01 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 122.121 -0.362 . . . . 25.0 113.216 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -137.35 167.18 22.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.407 0.623 . . . . 25.0 110.369 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.81 117.23 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.63 171.19 15.47 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 -177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -58.91 -46.18 88.52 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.3 -36.99 74.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.661 -0.65 . . . . 25.0 112.318 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.86 -34.54 77.58 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.049 -0.523 . . . . 25.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.229 -0.295 . . . . 25.0 110.788 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.2 -40.84 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -40.03 95.51 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.971 -0.456 . . . . 25.0 110.356 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 ttt -66.87 -25.81 66.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.413 0.625 . . . . 25.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.9 ttm . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 25.0 111.424 179.56 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 . . . . . 0 C--O 1.219 -0.546 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.35 -46.73 75.78 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.79 -0.569 . . . . 25.0 110.15 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.26 -35.72 73.97 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.102 -0.639 . . . . 25.0 109.423 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.06 69.51 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.246 -0.433 . . . . 25.0 111.026 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.88 -45.95 55.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.773 -0.579 . . . . 25.0 110.078 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -69.01 -15.11 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.366 0.603 . . . . 25.0 111.964 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.91 -39.8 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.85 -45.71 8.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.348 -0.842 . . . . 25.0 112.798 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.93 93.18 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.652 0.739 . . . . 25.0 111.5 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -81.2 -22.73 38.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.276 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -75.92 -27.61 57.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.784 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.86 23.77 71.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.176 -0.769 . . . . 25.0 111.176 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -96.22 -2.46 46.12 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.81 6.51 72.45 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 114.921 0.728 . . . . 25.0 114.921 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.3 p -135.96 152.33 50.86 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.261 0.531 . . . . 25.0 111.897 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.35 122.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -104.51 168.27 9.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.45 67.41 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -37.99 87.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.908 -0.495 . . . . 25.0 111.348 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.78 -44.25 67.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.947 0.403 . . . . 25.0 110.725 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.43 -44.25 92.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.878 0.847 . . . . 25.0 108.815 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.57 -28.93 74.11 Favored Glycine 0 CA--C 1.509 -0.307 0 CA-C-N 115.237 -0.892 . . . . 25.0 114.665 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.2 m -66.14 -41.61 90.18 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.81 -40.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.048 -0.407 . . . . 25.0 110.288 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -57.59 -43.95 85.02 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.809 -0.356 . . . . 25.0 111.472 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.63 -17.97 57.22 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -72.73 -24.23 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mt -91.73 8.94 34.66 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.639 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 4.24 90.39 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 115.436 0.934 . . . . 25.0 115.436 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -85.87 158.02 20.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.898 -0.778 . . . . 25.0 108.898 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -129.54 60.52 51.91 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 113.61 0.966 . . . . 25.0 113.61 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.93 156.46 34.52 Favored 'Trans proline' 0 C--O 1.242 0.721 0 C-N-CA 117.773 -1.018 . . . . 25.0 113.305 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -82.09 162.77 22.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 48' ' ' LEU . 26.4 pt-20 -73.2 -18.95 61.2 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 120.668 -1.27 . . . . 25.0 113.04 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.39 -37.58 56.96 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -66.25 -40.32 90.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.123 0.964 . . . . 25.0 108.714 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 45' ' ' GLU . 32.4 mt -67.19 -27.88 67.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.799 -0.637 . . . . 25.0 110.744 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -73.6 -36.47 65.52 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 119.088 -0.482 . . . . 25.0 111.645 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.26 -27.63 64.59 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.343 0.974 . . . . 25.0 110.723 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.84 -27.54 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 25.0 110.745 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -83.68 -43.53 18.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.07 -31.82 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 122.458 0.303 . . . . 25.0 110.754 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.12 -17.0 56.43 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -23.36 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -79.84 55.92 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.902 0.881 . . . . 25.0 112.782 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.6 -19.87 65.87 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.305 0.574 . . . . 25.0 110.857 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.12 -20.35 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.635 -0.711 . . . . 25.0 111.438 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.82 10.62 84.87 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 118.394 2.117 . . . . 25.0 118.394 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -79.89 0.68 30.16 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.048 1.924 . . . . 25.0 114.59 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.71 3.03 84.03 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 116.053 1.181 . . . . 25.0 116.053 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 p -140.17 165.38 27.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.76 0.78 . . . . 25.0 111.488 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -96.34 112.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 105.593 -2.003 . . . . 25.0 105.593 170.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.85 169.12 13.63 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -56.66 -47.22 99.39 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -69.41 -21.27 35.36 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 114.096 -3.469 . . . . 25.0 113.643 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -77.59 -30.1 52.33 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.53 -40.91 89.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.17 -41.08 99.18 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.762 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -66.01 -38.24 87.94 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.901 0.382 . . . . 25.0 111.192 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.4 ttt . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 179.4 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 25.0 110.281 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.33 -46.31 80.75 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.209 -0.307 . . . . 25.0 110.688 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.56 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 25.0 110.648 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.5 -43.86 96.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -69.09 -15.18 63.38 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.487 1.291 . . . . 25.0 114.487 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.35 -39.65 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -92.09 -35.5 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -94.98 49.83 1.25 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.741 0.781 . . . . 25.0 110.862 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' H ' ' HD3' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -67.39 -12.94 61.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 25.0 111.581 176.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.91 -14.05 48.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 25.0 110.498 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.24 25.61 75.19 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 118.021 1.968 . . . . 25.0 118.021 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.28 -1.69 57.95 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.101 1.45 . . . . 25.0 113.926 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.47 4.22 68.34 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.912 0.725 . . . . 25.0 114.912 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.51 146.22 41.71 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.708 0.254 . . . . 25.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.85 115.05 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -92.77 161.95 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.879 -0.728 . . . . 25.0 109.309 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.69 -39.46 80.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.389 0.614 . . . . 25.0 110.095 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -30.06 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.09 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -81.03 -42.09 21.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.761 -0.2 . . . . 25.0 110.754 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.738 -0.21 . . . . 25.0 110.612 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -27.27 68.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.729 -0.388 . . . . 25.0 111.385 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -69.36 -42.96 74.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.249 -0.58 . . . . 25.0 110.066 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.92 -43.03 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 26.3 mtt -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.487 0.551 . . . . 25.0 112.487 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -63.19 -38.29 90.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.736 0.303 . . . . 25.0 110.271 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -71.4 -28.87 64.31 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.96 -0.462 . . . . 25.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.11 -24.06 47.64 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.841 0.456 . . . . 25.0 111.466 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.01 36.78 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.442 -0.408 . . . . 25.0 112.099 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.36 159.64 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.038 0.447 . . . . 25.0 110.289 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.62 64.34 0.9 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 25.0 112.023 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.1 mt -120.83 163.19 18.54 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 105.072 -2.195 . . . . 25.0 105.072 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.5 p -98.99 171.3 8.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.01 -32.89 73.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.62 -38.54 73.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.69 -38.99 93.18 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.894 0.854 . . . . 25.0 109.186 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.62 -42.02 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.6 -0.727 . . . . 25.0 109.824 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.49 -41.01 96.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.823 -0.171 . . . . 25.0 111.361 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.32 -44.07 92.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.976 0.417 . . . . 25.0 110.826 176.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttp -64.1 -40.91 97.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.236 0.541 . . . . 25.0 112.241 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.4 mm -67.13 -40.27 84.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.418 -1.265 . . . . 25.0 107.638 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -61.8 -31.07 71.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -69.1 -25.33 64.36 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.992 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -97.58 -14.08 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 25.0 111.426 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -85.76 78.86 9.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.791 0.805 . . . . 25.0 111.869 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.17 -41.44 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.34 -0.846 . . . . 25.0 111.737 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -83.36 -11.14 57.97 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.495 1.294 . . . . 25.0 114.495 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.41 18.66 75.6 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 117.07 1.588 . . . . 25.0 117.07 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.97 0.0 54.35 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.77 7.72 74.37 Favored Glycine 0 C--O 1.244 0.733 0 O-C-N 122.181 -0.325 . . . . 25.0 113.372 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -137.58 163.78 30.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.135 0.493 . . . . 25.0 110.657 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.93 116.99 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 106.881 -1.525 . . . . 25.0 106.881 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.25 162.3 28.06 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.0 -36.73 77.84 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.293 -0.88 . . . . 25.0 110.855 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.87 -45.78 90.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.273 0.559 . . . . 25.0 111.699 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.48 -34.92 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.83 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.46 -39.08 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.048 0.451 . . . . 25.0 110.706 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -74.44 -39.46 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -59.33 -47.14 86.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.017 -0.427 . . . . 25.0 111.495 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 ptm -70.56 -20.84 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 25.0 111.444 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -178.31 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -71.02 -35.19 71.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.91 -38.1 72.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.65 70.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.855 0.36 . . . . 25.0 110.967 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.83 -44.57 69.68 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -67.84 -17.84 64.63 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.146 0.425 . . . . 25.0 112.146 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.84 -23.7 67.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.328 0.585 . . . . 25.0 109.548 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -104.1 -44.43 4.99 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.754 -0.657 . . . . 25.0 110.322 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.9 82.08 8.49 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.053 0.941 . . . . 25.0 109.392 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.78 -30.34 71.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -89.04 -10.1 48.77 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 120.29 -0.564 . . . . 25.0 112.189 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.59 15.83 79.18 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 176.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -77.62 -4.93 48.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 1.268 . . . . 25.0 113.861 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.96 -1.15 60.96 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 114.151 0.42 . . . . 25.0 114.151 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -136.17 132.86 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.175 0.512 . . . . 25.0 111.71 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.6 mt -85.53 113.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 104.359 -2.46 . . . . 25.0 104.359 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -90.43 167.63 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.8 t -62.13 -28.98 70.02 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.134 0.492 . . . . 25.0 109.947 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.33 -42.38 96.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.535 0.683 . . . . 25.0 110.325 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -75.66 -35.79 60.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 25.0 111.433 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.45 -43.92 96.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.7 -35.17 89.15 Favored Glycine 0 C--O 1.217 -0.948 0 CA-C-N 115.115 -0.948 . . . . 25.0 111.998 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -63.94 -42.77 97.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.745 -0.856 . . . . 25.0 110.182 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -69.74 -38.28 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 25.0 110.257 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 mmt -64.3 -35.47 80.97 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.807 -0.558 . . . . 25.0 111.763 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -75.28 -16.59 60.43 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 t -70.77 -24.78 62.66 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 171.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.97 -14.06 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.482 -0.781 . . . . 25.0 109.619 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.78 -6.13 56.95 Favored Glycine 0 C--O 1.217 -0.928 0 CA-C-N 115.625 -0.716 . . . . 25.0 114.375 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.437 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 27.2 mm100 -64.55 141.7 58.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -174.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -122.64 69.18 33.63 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -79.3 166.24 22.66 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 118.338 -0.641 . . . . 25.0 111.772 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 p -77.51 165.68 24.03 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.35 -24.46 62.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.788 -1.195 . . . . 25.0 111.579 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.66 65.76 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.82 -28.89 69.87 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.035 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 mt -79.68 -33.35 41.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.457 -0.777 . . . . 25.0 110.768 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.08 -39.29 79.15 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.906 1.23 . . . . 25.0 110.865 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.3 mtt -67.08 -27.45 67.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.395 0.616 . . . . 25.0 110.674 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.4 mt -81.27 -45.24 20.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.99 -30.93 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.57 -17.81 56.62 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.99 -23.3 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 112.008 0.373 . . . . 25.0 112.008 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -80.34 67.78 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.967 0.889 . . . . 25.0 112.486 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.5 -25.26 67.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 25.0 113.197 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -87.81 -7.87 56.69 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.87 16.61 76.45 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 117.424 1.73 . . . . 25.0 117.424 174.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -84.61 -0.16 52.3 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.41 75.67 Favored Glycine 0 C--O 1.242 0.653 0 N-CA-C 115.792 1.077 . . . . 25.0 115.792 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -139.03 153.16 48.07 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.771 0.785 . . . . 25.0 111.411 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.8 mt -91.62 103.16 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 106.864 -1.532 . . . . 25.0 106.864 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.26 178.65 5.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -51.57 -44.35 89.46 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 117.349 2.352 . . . . 25.0 117.349 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -71.24 -25.03 22.54 Favored 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 113.023 -4.184 . . . . 25.0 113.586 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -82.2 -26.77 33.04 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.222 0.534 . . . . 25.0 109.693 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.19 -37.29 86.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 171.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.45 -41.0 96.78 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -63.9 -40.26 96.08 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.23 0.538 . . . . 25.0 110.828 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 C--N 1.324 -0.527 0 C-N-CA 122.713 0.405 . . . . 25.0 110.538 179.197 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.0 mt . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 108.339 -0.985 . . . . 25.0 108.339 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -59.53 -41.68 90.57 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.526 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.56 -38.75 81.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.984 -0.448 . . . . 25.0 111.507 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.95 82.31 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.305 0.574 . . . . 25.0 110.072 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.64 -36.33 82.3 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.986 -0.446 . . . . 25.0 110.96 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -64.49 -19.45 65.59 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.14 -28.37 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.54 -45.84 3.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -81.32 78.03 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 25.0 111.273 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -103.36 -1.0 29.36 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.254 -0.885 . . . . 25.0 112.36 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.28 -7.01 36.57 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.46 26.42 74.55 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 116.706 1.442 . . . . 25.0 116.706 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.7 -1.42 55.2 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.731 1.266 . . . . 25.0 114.128 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 41' ' ' GLN . . . 91.68 -2.98 77.83 Favored Glycine 0 CA--C 1.509 -0.326 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -139.78 165.34 27.54 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 mt -108.35 115.03 48.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.484 -1.673 . . . . 25.0 106.484 172.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -105.46 165.93 10.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.954 -0.466 . . . . 25.0 110.629 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.58 89.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.698 0.285 . . . . 25.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.82 69.93 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.008 -0.542 . . . . 25.0 112.006 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -86.25 -41.39 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.038 0.447 . . . . 25.0 110.164 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.7 tp -65.31 -37.65 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.15 -0.344 . . . . 25.0 110.435 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -23.27 65.39 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 121.592 -0.692 . . . . 25.0 111.367 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -69.4 -42.79 74.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.53 -45.59 93.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mtp -65.68 -38.37 89.09 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.1 m -58.19 -41.52 84.12 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.038 0.447 . . . . 25.0 110.11 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.88 -26.62 60.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.747 -0.66 . . . . 25.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -33.14 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.51 -26.9 2.25 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 115.119 0.807 . . . . 25.0 115.119 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -94.49 146.37 24.14 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -126.3 75.46 1.53 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.726 0.774 . . . . 25.0 110.681 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.53 164.68 23.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.521 -1.218 . . . . 25.0 109.019 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.0 p -77.18 163.91 26.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -39.63 84.93 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -66.3 -36.37 82.77 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.82 -36.08 82.73 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.073 0.939 . . . . 25.0 109.424 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -83.27 -31.32 8.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.381 -0.827 . . . . 25.0 110.187 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -66.16 -37.63 86.11 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 109.26 -0.645 . . . . 25.0 109.26 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.38 -35.34 78.88 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.658 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -68.23 -36.58 79.73 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.928 -0.482 . . . . 25.0 111.541 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.8 mm -65.61 -40.37 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 177.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.3 -28.67 69.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -175.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -67.46 -17.05 64.55 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 111.627 0.232 . . . . 25.0 111.627 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.98 -2.06 12.94 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.904 0.383 . . . . 25.0 110.765 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.34 80.62 7.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.669 0.747 . . . . 25.0 111.106 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.86 -43.15 93.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.252 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -86.41 -9.84 55.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.389 1.255 . . . . 25.0 114.389 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.99 20.28 63.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -1.37 57.03 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.742 1.271 . . . . 25.0 114.348 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 8.29 71.65 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 121.447 -0.406 . . . . 25.0 113.766 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -141.53 169.42 17.63 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.312 -0.522 . . . . 25.0 110.186 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.4 t -100.68 120.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -81.75 173.41 12.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.1 -42.75 93.75 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.805 -0.559 . . . . 25.0 110.45 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.85 -44.14 94.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.027 0.918 . . . . 25.0 111.487 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.08 -32.61 73.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.688 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.1 -38.09 89.6 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.998 -0.546 . . . . 25.0 109.766 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.41 -42.05 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.559 -0.713 . . . . 25.0 109.356 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.257 -0.277 . . . . 25.0 110.377 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 65.6 ttp -71.52 -40.2 70.26 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 120.842 0.354 . . . . 25.0 110.986 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -177.677 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 C--O 1.222 -0.366 0 N-CA-C 111.515 0.191 . . . . 25.0 111.515 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -69.38 -41.26 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -71.32 -36.12 71.47 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.011 -0.675 . . . . 25.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.84 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 25.0 110.046 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -65.38 -42.84 92.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.595 -0.52 . . . . 25.0 109.595 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -65.89 -20.72 66.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.538 . . . . 25.0 112.017 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.13 -40.56 94.6 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.8 -38.12 23.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.539 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.3 95.9 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.653 0.74 . . . . 25.0 110.754 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.98 -21.73 43.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -105.12 -13.25 15.78 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.759 0.651 . . . . 25.0 112.759 -175.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.84 15.92 76.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 115.896 1.118 . . . . 25.0 115.896 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 p30 -80.22 -2.18 43.8 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.74 10.36 70.02 Favored Glycine 0 C--O 1.239 0.433 0 C-N-CA 121.289 -0.482 . . . . 25.0 113.787 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -134.73 152.88 52.1 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.833 0.453 . . . . 25.0 111.934 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.78 118.48 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -87.75 164.74 15.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -35.84 72.31 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.514 0.673 . . . . 25.0 109.585 174.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.04 -44.43 97.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 25.0 111.441 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -70.01 -41.66 74.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.75 0.309 . . . . 25.0 111.358 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.16 -45.21 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.779 0.8 . . . . 25.0 109.144 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -32.7 85.09 Favored Glycine 0 C--O 1.219 -0.789 0 CA-C-N 114.947 -1.024 . . . . 25.0 112.999 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.7 m -61.84 -43.5 98.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.693 0.746 . . . . 25.0 109.43 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.41 -43.96 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.498 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -62.97 -40.6 98.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.921 -0.487 . . . . 25.0 111.877 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -69.99 -26.24 63.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.67 -0.644 . . . . 25.0 111.236 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 t -71.73 -27.36 62.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.03 3.58 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.414 0.686 . . . . 25.0 110.418 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.98 89.08 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 114.825 0.69 . . . . 25.0 114.825 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -78.72 151.57 32.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -115.09 46.28 0.42 Allowed Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 118.886 2.921 . . . . 25.0 118.886 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.16 164.62 19.54 Favored 'Trans proline' 0 C--O 1.246 0.901 0 C-N-CA 116.7 -1.733 . . . . 25.0 113.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 t -100.22 162.14 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 173.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.77 -29.73 70.72 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.07 -31.71 70.66 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.19 -34.61 78.43 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 122.587 1.184 . . . . 25.0 108.62 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.3 mt -76.69 -28.35 55.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.28 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.4 -37.77 86.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 119.208 -0.425 . . . . 25.0 111.379 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.78 -29.01 65.1 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.282 0.946 . . . . 25.0 111.098 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.3 mtt -68.26 -29.9 68.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.123 0.487 . . . . 25.0 110.326 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.1 mt -77.06 -48.07 25.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.2 mt -54.89 -33.42 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.02 -20.07 55.95 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.037 1.125 . . . . 25.0 114.037 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.33 -7.02 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.41 59.09 4.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.761 0.791 . . . . 25.0 111.962 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -17.32 63.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -87.52 -10.79 50.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.88 14.54 75.81 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.218 0.847 . . . . 25.0 115.218 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -174.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.9 10.64 85.43 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 116.503 1.361 . . . . 25.0 116.503 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.8 p -139.94 153.22 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.778 0.789 . . . . 25.0 110.672 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.14 104.06 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 106.822 -1.547 . . . . 25.0 106.822 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.59 165.19 25.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.03 -45.02 99.8 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 114.164 1.172 . . . . 25.0 114.164 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.02 -24.23 67.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 114.307 -3.329 . . . . 25.0 114.707 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.64 -31.01 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.659 -0.651 . . . . 25.0 109.458 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -66.38 -39.28 88.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.01 -33.99 76.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.496 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 m -69.78 -34.76 74.18 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.067 -0.396 . . . . 25.0 110.67 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 175.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--O 1.197 -1.659 0 CA-C-O 123.681 1.705 . . . . 25.0 109.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -62.18 -40.54 96.36 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 120.656 -1.278 . . . . 25.0 111.637 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.12 -32.31 64.85 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.806 -1.184 . . . . 25.0 110.55 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.27 83.61 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.858 0.837 . . . . 25.0 108.78 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -69.41 -38.53 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.358 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.08 -16.67 62.26 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.45 -37.43 69.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.38 -46.5 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -82.57 81.42 8.37 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.691 0.758 . . . . 25.0 109.14 177.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.3 -35.11 77.34 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.77 -24.66 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.998 -0.281 . . . . 25.0 111.578 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.43 21.32 64.76 Favored Glycine 0 C--O 1.228 -0.277 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -75.87 0.88 16.64 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.39 1.095 . . . . 25.0 113.698 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.32 6.99 58.5 Favored Glycine 0 C--O 1.235 0.17 0 C-N-CA 121.512 -0.375 . . . . 25.0 112.831 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -141.56 136.36 31.02 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.871 0.367 . . . . 25.0 111.728 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.5 106.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 105.752 -1.944 . . . . 25.0 105.752 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.7 p -75.78 162.51 28.12 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.382 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.92 74.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.88 92.79 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.352 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -68.33 -41.77 80.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.262 -0.274 . . . . 25.0 110.528 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.53 -43.9 92.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.96 79.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.649 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.05 -45.98 89.67 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.206 -0.308 . . . . 25.0 111.02 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.26 -46.0 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 121.174 0.511 . . . . 25.0 109.744 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.5 mtt -63.81 -39.12 93.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.1 m -61.13 -40.49 94.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.476 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -72.03 -24.49 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.82 0.343 . . . . 25.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -77.65 -14.43 59.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 25.0 110.489 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.25 20.8 56.47 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 121.262 -0.495 . . . . 25.0 111.934 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.23 158.66 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.352 0.596 . . . . 25.0 110.257 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -124.84 37.96 4.29 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.717 0.77 . . . . 25.0 111.198 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.07 155.26 17.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.942 -1.481 . . . . 25.0 107.877 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -87.11 165.44 15.76 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.28 -37.02 76.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 25.0 110.637 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -70.53 -33.48 71.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.49 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.78 -34.87 78.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 25.0 110.545 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.52 -40.3 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 108.804 -0.813 . . . . 25.0 108.804 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.91 -37.93 89.27 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.713 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.45 -37.52 78.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.985 0.421 . . . . 25.0 110.781 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.58 81.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.98 -0.45 . . . . 25.0 111.005 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.32 -42.15 87.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -57.1 -32.27 66.13 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.12 -13.07 59.49 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.34 -0.91 5.68 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.85 76.81 9.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.787 0.803 . . . . 25.0 111.564 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.9 -42.28 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.853 -175.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -88.64 -2.57 58.66 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.51 21.79 78.68 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 116.62 1.408 . . . . 25.0 116.62 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -87.53 2.73 49.91 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.029 1.492 . . . . 25.0 115.029 -176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.49 10.63 81.56 Favored Glycine 0 C--O 1.243 0.697 0 CA-C-O 121.537 0.521 . . . . 25.0 113.307 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.15 166.91 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.72 -0.474 . . . . 25.0 109.72 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.92 116.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 172.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -74.71 168.07 20.56 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.557 -1.645 . . . . 25.0 106.557 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.14 -45.14 87.9 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.867 -0.521 . . . . 25.0 112.043 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -41.17 87.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 25.0 111.819 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.32 -34.92 77.55 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.503 -0.771 . . . . 25.0 110.298 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -65.54 -38.76 90.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.217 -0.302 . . . . 25.0 111.585 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.46 -38.67 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -66.25 -42.63 88.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.9 -0.5 . . . . 25.0 110.184 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 ttt -61.08 -31.33 71.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.682 0.393 . . . . 25.0 111.558 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.4 ttm . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 179.044 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -90.3 -177.58 5.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -76.83 153.55 34.75 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.29 141.88 55.49 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.361 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.4 p -70.21 160.09 32.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -61.42 -29.75 70.13 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.728 -0.841 . . . . 25.0 108.728 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.25 -44.25 76.05 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.388 -0.823 . . . . 25.0 111.445 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.44 -39.19 93.36 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 122.427 1.108 . . . . 25.0 110.7 177.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.51 -37.93 80.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.83 83.38 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 122.014 -0.429 . . . . 25.0 111.197 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -58.58 -49.1 78.67 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.881 0.848 . . . . 25.0 110.81 176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.43 -21.07 64.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.265 -0.897 . . . . 25.0 111.728 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -75.14 -38.73 60.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.29 -38.56 68.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.48 -30.09 70.39 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.278 -0.264 . . . . 25.0 110.354 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -67.11 -45.71 76.36 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 122.001 -0.437 . . . . 25.0 109.969 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.7 m -67.77 -25.71 65.75 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.894 0.378 . . . . 25.0 111.829 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.61 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.208 -0.933 . . . . 25.0 109.749 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -38.95 18.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 25.0 110.98 177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -87.05 93.87 9.48 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.533 0.683 . . . . 25.0 111.082 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -71.71 -17.66 62.21 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -86.88 -28.17 22.98 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.441 0.638 . . . . 25.0 109.356 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.21 17.99 79.7 Favored Glycine 0 C--O 1.227 -0.342 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.73 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.04 -6.88 58.57 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.58 7.27 54.03 Favored Glycine 0 C--O 1.239 0.413 0 C-N-CA 121.213 -0.518 . . . . 25.0 114.053 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.07 155.75 50.21 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.6 mt -118.43 128.01 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.1 p -106.83 170.17 8.1 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -62.38 -27.22 68.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.511 -0.743 . . . . 25.0 110.959 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -65.35 -39.79 92.79 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 121.295 -0.878 . . . . 25.0 109.805 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.52 -33.52 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -47.17 87.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.24 -30.78 77.39 Favored Glycine 0 CA--C 1.511 -0.209 0 CA-C-N 115.737 -0.665 . . . . 25.0 113.711 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.2 m -64.68 -46.4 82.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.1 -41.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.5 mmt -57.92 -50.03 74.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -72.82 -17.55 61.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.817 -0.552 . . . . 25.0 112.09 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -23.81 58.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 173.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -91.08 -0.17 57.67 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.63 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.14 1.81 88.33 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 121.249 -0.501 . . . . 25.0 113.598 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -82.46 133.48 35.21 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.836 -0.802 . . . . 25.0 110.995 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -120.98 57.31 6.04 Favored Pre-proline 0 CA--C 1.561 1.397 0 N-CA-C 114.667 1.358 . . . . 25.0 114.667 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -74.59 172.79 15.49 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 117.437 -1.242 . . . . 25.0 111.497 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -75.59 162.71 28.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 25.0 109.862 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.01 -31.52 72.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.062 0.458 . . . . 25.0 110.097 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.5 77.27 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.052 -0.405 . . . . 25.0 110.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -65.16 -41.74 94.42 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.18 -32.55 74.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.067 -0.396 . . . . 25.0 111.09 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -70.31 -42.77 71.55 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.229 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -31.32 71.65 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 122.189 -0.319 . . . . 25.0 110.727 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.2 mtp -64.54 -25.34 67.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.815 -0.553 . . . . 25.0 111.085 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.06 -47.7 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.37 -30.31 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.189 0.596 . . . . 25.0 111.531 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -29.49 41.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.924 0.489 . . . . 25.0 112.196 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.93 -29.53 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.2 53.14 1.69 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.888 0.852 . . . . 25.0 112.227 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.48 66.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.091 -0.959 . . . . 25.0 110.833 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.68 -17.06 56.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 122.766 0.427 . . . . 25.0 111.734 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.06 12.9 84.22 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 117.649 1.82 . . . . 25.0 117.649 173.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -3.36 48.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 119.617 1.709 . . . . 25.0 113.555 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.74 -2.91 77.45 Favored Glycine 0 C--O 1.24 0.501 0 N-CA-C 115.935 1.134 . . . . 25.0 115.935 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.6 p -136.87 163.52 30.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 119.076 1.438 . . . . 25.0 112.835 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -104.97 108.74 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 104.836 -2.283 . . . . 25.0 104.836 173.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -87.28 177.98 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -55.54 -43.67 99.26 Favored Pre-proline 0 CA--C 1.559 1.296 0 N-CA-C 115.448 1.647 . . . . 25.0 115.448 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -64.87 -28.81 58.64 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 114.497 -3.202 . . . . 25.0 113.675 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.47 -24.3 56.92 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.75 -37.04 76.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.14 -37.3 86.98 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -67.0 -36.48 82.26 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.609 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 ttm -64.81 -34.34 78.12 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.901 -0.499 . . . . 25.0 109.89 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.7 mmt -75.61 -36.47 60.25 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.099 -0.376 . . . . 25.0 110.417 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.22 71.62 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.035 -0.416 . . . . 25.0 111.953 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -80.88 0.19 36.27 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.236 -0.915 . . . . 25.0 112.622 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -104.38 -9.39 18.51 Favored 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 97.6 mmm -87.33 11.45 14.36 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.84 141.77 28.3 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.28 140.18 33.86 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.303 1.002 . . . . 25.0 110.04 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 t -137.54 165.27 26.71 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -65.96 -40.25 91.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 p -72.14 -11.49 60.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -70.23 -21.7 62.98 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.904 -0.318 . . . . 25.0 111.316 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.13 -42.69 98.99 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.751 -0.593 . . . . 25.0 110.253 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.31 -37.04 84.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.552 . . . . 25.0 110.485 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.77 -41.94 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -66.32 -39.77 89.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.663 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.32 -47.98 77.33 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.711 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.77 83.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.056 0.455 . . . . 25.0 110.358 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -61.84 -45.04 95.51 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -71.65 -17.23 62.26 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.96 -41.01 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.192 -1.04 . . . . 25.0 108.192 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -83.32 -40.53 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.962 -0.461 . . . . 25.0 112.123 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -80.07 79.95 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.42 1.105 . . . . 25.0 109.562 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -70.96 -29.45 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.389 1.255 . . . . 25.0 114.389 -172.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -93.31 -8.2 42.71 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.413 0.551 . . . . 25.0 112.02 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.48 20.02 77.36 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 116.925 1.53 . . . . 25.0 116.925 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -84.41 4.45 31.46 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.863 1.801 . . . . 25.0 115.863 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.77 4.62 67.3 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.824 -0.703 . . . . 25.0 114.708 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -136.76 143.54 43.29 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -101.52 111.1 30.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 p -82.37 159.74 22.96 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.61 72.08 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.72 85.21 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.077 0.465 . . . . 25.0 111.729 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.95 -40.86 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.977 -0.379 . . . . 25.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -42.79 97.07 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -62.75 -31.15 72.04 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 116.376 -0.375 . . . . 25.0 111.28 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -63.14 -45.03 93.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.58 -0.848 . . . . 25.0 108.957 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.57 -44.3 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -39.55 94.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.049 0.388 . . . . 25.0 112.049 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.67 -39.04 93.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.233 0.54 . . . . 25.0 109.603 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.56 -24.07 61.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.431 -0.349 . . . . 25.0 111.495 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.95 -21.03 44.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.903 0.382 . . . . 25.0 110.965 176.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.95 7.1 53.44 Favored Glycine 0 C--O 1.238 0.388 0 CA-C-N 115.571 -0.741 . . . . 25.0 112.584 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.35 138.16 57.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -121.35 63.98 0.89 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 122.165 0.983 . . . . 25.0 109.662 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.09 161.11 14.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.767 -1.56 . . . . 25.0 109.247 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 168.99 12.99 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.28 -30.25 71.09 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 120.534 -0.466 . . . . 25.0 109.787 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.49 -32.73 70.36 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 122.699 0.4 . . . . 25.0 111.102 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.19 -33.07 65.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.86 -36.86 59.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.978 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -62.41 -44.25 96.87 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' HD2' ' A' ' 126' ' ' ARG . 18.5 tp10 -58.63 -39.47 80.61 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.401 -0.812 . . . . 25.0 112.239 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 42.3 ttm -65.67 -41.55 92.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.616 0.722 . . . . 25.0 111.655 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -69.82 -34.36 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.803 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.473 ' HD2' ' HA ' ' A' ' 123' ' ' GLU . 50.9 mtt180 -58.15 -29.71 65.78 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.691 0.997 . . . . 25.0 113.691 -176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.87 -23.86 66.06 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.383 0.611 . . . . 25.0 111.575 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.65 -20.58 13.42 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.168 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.01 76.65 8.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -172.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.8 -41.99 88.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 25.0 111.59 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.33 -8.99 58.19 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.0 19.6 67.0 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 116.575 1.39 . . . . 25.0 116.575 174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.72 2.52 54.72 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.437 1.643 . . . . 25.0 115.437 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.9 9.05 86.77 Favored Glycine 0 C--O 1.241 0.547 0 C-N-CA 121.245 -0.503 . . . . 25.0 114.197 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -133.94 167.75 20.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.18 116.02 49.05 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.08 168.32 20.26 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -60.76 -43.98 97.32 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 118.493 0.588 . . . . 25.0 111.391 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.1 -39.37 93.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.827 0.822 . . . . 25.0 110.874 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.17 -28.91 67.69 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.164 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.49 -32.66 72.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.77 -41.35 90.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -66.31 -40.7 90.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.933 -0.48 . . . . 25.0 110.678 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.9 ttt -60.08 -42.16 94.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.13 -0.356 . . . . 25.0 111.173 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.1 ttm -76.75 -17.91 58.79 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.18 -13.35 57.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.321 0.582 . . . . 25.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.27 -166.64 1.21 Allowed 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.7 pttt . . . . . 0 C--O 1.247 0.967 0 N-CA-C 106.465 -1.68 . . . . 25.0 106.465 177.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -163.47 157.85 20.25 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 103.146 -2.909 . . . . 25.0 103.146 -167.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -157.32 157.49 34.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.12 139.17 39.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 m -112.23 -35.78 5.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.843 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -66.36 -30.94 71.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.989 -0.444 . . . . 25.0 111.863 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -64.32 -38.49 91.24 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 120.584 0.23 . . . . 25.0 110.63 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -64.63 -41.0 96.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.054 0.454 . . . . 25.0 110.796 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.99 -38.74 81.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.44 -41.32 84.96 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.766 -0.584 . . . . 25.0 110.733 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -61.76 -44.59 96.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.189 0.518 . . . . 25.0 111.125 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -66.95 -30.09 70.13 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.627 -0.671 . . . . 25.0 110.682 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -69.22 -40.45 77.96 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.255 -0.278 . . . . 25.0 110.396 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -68.61 -39.36 80.88 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.331 -0.548 . . . . 25.0 109.936 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.65 -34.72 78.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.681 0.277 . . . . 25.0 110.714 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -69.5 -43.94 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.4 t -65.92 -20.56 66.26 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.062 0.458 . . . . 25.0 111.62 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.48 -38.59 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -89.08 -40.99 12.57 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.53 89.39 3.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.953 0.882 . . . . 25.0 110.722 -178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -76.15 -20.32 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -108.5 -5.45 16.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.63 19.99 77.17 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 116.183 1.233 . . . . 25.0 116.183 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -81.91 0.22 40.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.639 0.978 . . . . 25.0 113.639 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 3.66 71.92 Favored Glycine 0 CA--C 1.519 0.318 0 N-CA-C 114.844 0.698 . . . . 25.0 114.844 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -133.4 156.76 47.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.329 0.565 . . . . 25.0 111.796 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -112.88 116.22 52.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.5 p -91.9 166.54 12.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 p -60.82 -32.86 72.22 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -58.99 -44.12 91.55 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.853 0.835 . . . . 25.0 110.503 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.0 -35.81 56.85 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.854 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.62 -45.79 92.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.27 76.67 Favored Glycine 0 C--O 1.221 -0.678 0 CA-C-N 115.647 -0.706 . . . . 25.0 113.418 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.0 m -63.51 -40.55 97.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.601 0.7 . . . . 25.0 109.743 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.46 -43.33 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.82 -0.437 . . . . 25.0 109.82 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.65 -40.52 97.07 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -74.08 -18.73 60.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.335 -0.853 . . . . 25.0 112.015 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -74.86 -20.49 59.72 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.27 9.35 34.27 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.74 4.04 90.32 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 115.011 0.764 . . . . 25.0 115.011 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -82.66 148.9 27.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.503 0.652 . . . . 25.0 110.892 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -123.04 66.61 30.87 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.841 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.1 163.11 39.75 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 117.897 -0.935 . . . . 25.0 112.031 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.2 p -80.72 165.27 22.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -63.47 -31.17 72.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.42 -41.57 80.18 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.539 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.55 -38.22 90.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.236 1.017 . . . . 25.0 109.924 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.33 -27.74 65.63 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.555 -0.716 . . . . 25.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.41 -48.22 29.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 119.59 -0.243 . . . . 25.0 111.196 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.16 -27.79 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.7 mtt -67.91 -24.83 65.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.845 -0.535 . . . . 25.0 111.496 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -44.95 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.34 -30.59 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 117.714 0.233 . . . . 25.0 111.183 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.0 -30.31 46.77 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.496 0.925 . . . . 25.0 113.496 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -4.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 -176.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.97 62.09 4.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.875 0.845 . . . . 25.0 111.8 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.2 68.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -92.11 -3.72 55.31 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.56 18.48 71.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.093 1.197 . . . . 25.0 116.093 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -84.05 -0.76 53.01 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.953 1.377 . . . . 25.0 114.652 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.15 0.84 80.02 Favored Glycine 0 C--O 1.239 0.413 0 N-CA-C 116.595 1.398 . . . . 25.0 116.595 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.2 p -135.31 159.58 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.949 0.874 . . . . 25.0 111.378 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -90.52 115.3 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -93.46 168.99 10.69 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 -177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.89 -48.21 92.31 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 115.467 1.654 . . . . 25.0 115.467 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.83 -23.53 22.24 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 113.726 -3.716 . . . . 25.0 114.296 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.88 -34.14 66.5 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -64.65 -39.75 94.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.339 0.59 . . . . 25.0 109.722 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.72 -37.59 86.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.072 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -66.4 -33.57 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.161 -0.337 . . . . 25.0 111.162 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.1 ttm -63.1 -40.66 98.3 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -38.31 68.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.68 97.54 Favored 'General case' 0 C--O 1.214 -0.816 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -69.91 -16.19 63.18 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.305 -0.872 . . . . 25.0 111.717 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -85.05 -32.81 22.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.5 mtt -90.86 46.52 1.33 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -57.97 154.42 12.51 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -66.55 161.4 23.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.5 -1.227 . . . . 25.0 110.982 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.9 p -125.39 26.18 6.9 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.27 -174.0 2.22 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.004 -1.453 . . . . 25.0 111.692 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.5 p 61.17 22.69 12.97 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 115.997 1.851 . . . . 25.0 115.997 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.82 -35.95 69.38 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.391 -0.818 . . . . 25.0 112.204 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -69.24 -36.18 76.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.627 -0.671 . . . . 25.0 110.507 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.05 -36.69 82.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.62 -39.02 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -65.2 -39.43 92.81 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 122.054 -0.404 . . . . 25.0 111.382 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -70.03 -38.42 75.88 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.894 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.25 79.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.846 0.355 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.72 -38.85 79.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.59 0.234 . . . . 25.0 110.402 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -69.66 -15.05 63.11 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.666 1.358 . . . . 25.0 114.666 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.0 t -66.78 -35.92 75.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 107.067 -1.457 . . . . 25.0 107.067 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.03 -54.01 4.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.356 -0.838 . . . . 25.0 109.487 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -81.4 76.94 8.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.868 0.842 . . . . 25.0 110.34 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -71.39 -14.28 62.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.403 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -75.6 -25.42 56.97 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.3 76.91 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.431 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -91.57 2.02 56.74 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.21 1.189 . . . . 25.0 114.21 -174.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.44 5.69 65.0 Favored Glycine 0 C--O 1.235 0.176 0 N-CA-C 114.322 0.489 . . . . 25.0 114.322 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -140.28 133.88 30.21 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.95 0.375 . . . . 25.0 111.672 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -97.98 118.11 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 173.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -89.87 168.37 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.13 -0.322 . . . . 25.0 110.13 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.4 79.29 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.164 -0.335 . . . . 25.0 110.4 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.04 82.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.625 0.726 . . . . 25.0 111.229 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -75.42 -37.24 60.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.86 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.44 -43.72 84.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -58.85 -32.22 69.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.3 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -61.32 -45.72 93.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.988 -0.445 . . . . 25.0 110.12 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.47 -40.59 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 25.0 110.225 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -35.66 77.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.238 0.542 . . . . 25.0 112.134 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 m -63.04 -38.8 92.65 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -72.48 -26.13 61.68 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.19 -0.319 . . . . 25.0 111.457 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.31 -20.17 57.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.815 0.34 . . . . 25.0 110.442 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.47 16.85 51.75 Favored Glycine 0 C--O 1.238 0.394 0 CA-C-N 116.042 -0.526 . . . . 25.0 113.356 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -69.91 159.66 33.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.733 0.778 . . . . 25.0 112.114 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -129.6 56.91 1.69 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.273 -0.876 . . . . 25.0 111.398 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.61 162.59 12.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.317 -0.856 . . . . 25.0 108.844 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -88.21 166.52 14.3 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.95 -30.74 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.52 0.676 . . . . 25.0 109.663 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -66.59 -38.85 87.87 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.162 -0.927 . . . . 25.0 111.769 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.68 -37.05 81.8 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.372 0.606 . . . . 25.0 109.718 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.91 -34.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.51 -39.34 88.6 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.958 -0.464 . . . . 25.0 110.037 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.85 -33.85 76.98 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.941 -0.704 . . . . 25.0 110.911 174.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.1 mtp -67.32 -34.5 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.728 -0.607 . . . . 25.0 111.729 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.26 -38.82 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -61.07 -27.26 68.23 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.03 -30.15 65.9 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.699 0.259 . . . . 25.0 111.699 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -112.34 -6.03 14.08 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -83.93 79.3 9.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.052 0.929 . . . . 25.0 111.503 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -41.25 87.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.138 -0.937 . . . . 25.0 112.193 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -11.0 52.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.92 21.11 59.89 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 117.666 1.826 . . . . 25.0 117.666 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 -0.29 55.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.862 1.331 . . . . 25.0 114.483 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.89 6.75 75.5 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.454 -0.403 . . . . 25.0 113.938 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -139.86 171.44 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.15 117.27 50.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.83 167.79 20.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.28 -43.88 92.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.882 -0.511 . . . . 25.0 111.906 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -64.11 -41.14 97.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.347 0.594 . . . . 25.0 111.147 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.33 -35.59 81.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.62 -40.07 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.13 -0.357 . . . . 25.0 110.759 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.97 -38.69 78.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.05 -41.64 99.53 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.719 -0.613 . . . . 25.0 110.305 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.2 ttp -61.52 -36.38 80.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 25.0 110.498 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.5 ttm -67.06 -25.57 66.32 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.2 t -109.73 21.45 16.91 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.359 0.6 . . . . 25.0 110.654 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.69 162.59 12.93 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.68 0.753 . . . . 25.0 111.355 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.0 pttp . . . . . 0 C--O 1.244 0.781 0 CA-C-O 117.286 -1.34 . . . . 25.0 111.19 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 117.774 -1.108 . . . . 25.0 108.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 50.74 49.26 21.32 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.859 1.349 . . . . 25.0 111.399 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.18 135.09 55.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.475 -0.784 . . . . 25.0 110.835 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mp -105.58 156.83 17.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.172 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -62.36 -26.76 68.63 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.59 -0.732 . . . . 25.0 110.351 175.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.14 -27.88 69.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.38 -39.62 92.47 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -67.27 -40.65 86.21 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.251 -0.431 . . . . 25.0 110.322 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.33 -36.64 74.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.54 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.973 -0.454 . . . . 25.0 110.146 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.19 -40.52 97.76 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.764 0.792 . . . . 25.0 110.203 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -70.6 -22.56 62.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.729 -0.607 . . . . 25.0 111.13 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.03 -34.68 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.97 -37.99 75.93 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.815 -0.754 . . . . 25.0 109.53 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.04 79.65 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.179 -0.325 . . . . 25.0 110.667 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -66.19 -43.14 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.199 -0.313 . . . . 25.0 110.234 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -65.5 -25.28 67.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.452 . . . . 25.0 111.348 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.66 -27.39 66.82 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.084 -0.385 . . . . 25.0 110.719 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -92.5 -32.19 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.546 0.339 . . . . 25.0 111.468 174.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -79.39 78.33 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.014 0.911 . . . . 25.0 109.33 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.78 -23.92 67.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 -173.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -103.79 -8.45 19.79 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.742 1.016 . . . . 25.0 113.742 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.98 14.12 82.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 118.024 1.969 . . . . 25.0 118.024 174.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -82.41 1.06 39.16 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.72 69.03 Favored Glycine 0 C--O 1.238 0.384 0 N-CA-C 115.279 0.872 . . . . 25.0 115.279 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.4 p -135.84 155.84 49.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.518 0.659 . . . . 25.0 110.003 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt -111.28 116.1 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -100.93 168.89 9.33 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.254 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -34.04 67.51 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.621 -0.675 . . . . 25.0 112.251 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 25.0 110.305 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.92 -40.04 63.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.995 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.84 -43.99 97.73 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.05 82.91 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 115.344 -0.844 . . . . 25.0 112.779 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.5 m -64.83 -45.0 88.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.22 -42.67 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 122.247 -0.283 . . . . 25.0 110.505 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -60.06 -43.0 95.74 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.721 -0.391 . . . . 25.0 111.377 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.19 -21.26 59.9 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.404 -0.81 . . . . 25.0 112.249 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -71.36 -28.12 63.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.79 7.64 26.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.891 -0.595 . . . . 25.0 110.378 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.47 87.89 Favored Glycine 0 C--O 1.225 -0.454 0 N-CA-C 114.668 0.627 . . . . 25.0 114.668 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -80.74 160.15 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.987 -0.714 . . . . 25.0 110.381 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -125.96 68.16 62.97 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -72.33 157.6 53.12 Favored 'Trans proline' 0 CA--C 1.512 -0.586 0 C-N-CA 117.294 -1.337 . . . . 25.0 113.217 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.6 p -81.77 163.98 22.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -68.61 -28.41 66.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.213 -0.929 . . . . 25.0 109.582 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.09 80.38 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.157 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -62.02 -44.06 97.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.117 0.96 . . . . 25.0 109.512 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.13 -30.04 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.574 . . . . 25.0 110.769 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -73.83 -44.91 54.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 118.988 -0.53 . . . . 25.0 111.344 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.12 -29.76 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.466 1.03 . . . . 25.0 111.648 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.0 mtp -64.72 -26.44 68.37 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.431 -0.508 . . . . 25.0 110.942 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.1 -47.92 16.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.274 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.24 -28.43 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 122.899 0.48 . . . . 25.0 111.806 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.98 -27.99 34.94 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.807 1.04 . . . . 25.0 113.807 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.37 -11.58 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 114.38 1.252 . . . . 25.0 114.38 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.54 51.86 1.75 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.16 64.18 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.097 0.475 . . . . 25.0 111.155 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -79.9 -19.28 48.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.738 0.815 . . . . 25.0 111.713 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 17.32 78.03 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -4.25 58.79 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.917 1.359 . . . . 25.0 113.663 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.31 7.16 87.04 Favored Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.46 1.344 . . . . 25.0 116.46 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.4 p -137.14 154.2 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.738 0.769 . . . . 25.0 111.066 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.6 mt -87.19 114.55 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.347 -1.723 . . . . 25.0 106.347 173.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -87.89 173.14 9.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.843 -1.169 . . . . 25.0 107.843 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.27 -49.69 92.48 Favored Pre-proline 0 CA--C 1.559 1.312 0 N-CA-C 115.036 1.495 . . . . 25.0 115.036 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.4 -21.74 30.12 Favored 'Trans proline' 0 C--N 1.357 0.994 1 C-N-CA 112.34 -4.64 . . . . 25.0 113.397 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.02 -32.43 63.36 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.841 -0.537 . . . . 25.0 109.982 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -66.08 -40.83 91.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.18 -37.48 85.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.637 -0.71 . . . . 25.0 110.24 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -65.22 -41.13 94.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttp -59.69 -40.75 88.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.303 0.573 . . . . 25.0 110.077 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.3 mtp -68.38 -41.69 80.21 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.445 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -32.62 74.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.785 0.291 . . . . 25.0 111.785 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -63.99 -18.79 64.64 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 111.799 0.296 . . . . 25.0 111.799 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -95.59 -15.8 22.54 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 112.214 0.45 . . . . 25.0 112.214 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.8 mtt -90.52 -27.19 19.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.19 0.519 . . . . 25.0 110.998 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -77.91 153.81 32.24 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 51.44 47.0 25.64 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 124.211 0.944 . . . . 25.0 112.035 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 m -54.69 123.02 11.94 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.457 0.646 . . . . 25.0 111.19 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -80.68 144.34 32.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -174.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.4 p -77.02 -7.31 55.42 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 171.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -63.47 -25.21 68.16 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.044 -0.525 . . . . 25.0 111.14 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.62 -37.01 85.37 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.603 -0.686 . . . . 25.0 110.126 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.64 -37.87 83.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 25.0 109.577 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.8 mt -66.9 -37.2 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -63.76 -41.27 98.02 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.211 -0.306 . . . . 25.0 110.731 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.99 -41.34 77.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.232 -0.587 . . . . 25.0 110.141 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.41 80.09 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.969 0.414 . . . . 25.0 111.834 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.22 -42.01 94.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -67.69 -21.4 65.33 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.752 1.019 . . . . 25.0 113.752 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.77 -41.58 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -80.47 -31.78 37.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.213 -0.304 . . . . 25.0 111.366 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.49 56.95 3.79 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.553 1.168 . . . . 25.0 109.223 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -64.06 -23.94 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 25.0 112.981 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -85.73 -7.42 58.79 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.22 0.464 . . . . 25.0 112.066 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.46 13.34 82.99 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 118.234 2.054 . . . . 25.0 118.234 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -87.62 1.67 53.03 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.549 1.675 . . . . 25.0 115.377 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.0 5.08 68.38 Favored Glycine 0 C--O 1.227 -0.311 0 N-CA-C 115.955 1.142 . . . . 25.0 115.955 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.11 152.2 45.93 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.9 mt -105.63 110.6 31.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.0 p -85.38 163.34 18.6 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.577 -0.449 . . . . 25.0 109.798 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.89 77.51 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.229 0.538 . . . . 25.0 109.606 173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.92 -32.16 73.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.807 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -79.5 -41.32 27.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.667 -0.242 . . . . 25.0 110.736 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.2 -47.86 82.58 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.967 -0.693 . . . . 25.0 109.327 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -27.9 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.571 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -66.61 -47.18 73.47 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.486 -0.759 . . . . 25.0 109.77 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -41.3 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.019 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.8 -38.47 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.372 -0.205 . . . . 25.0 111.502 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.6 m -63.9 -37.29 86.86 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.114 -0.366 . . . . 25.0 110.117 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.39 -22.04 62.8 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.002 -0.436 . . . . 25.0 110.717 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 mt -87.2 -7.22 58.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.605 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.49 65.21 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 115.264 0.866 . . . . 25.0 115.264 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.27 160.17 31.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 25.0 111.675 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -127.24 49.15 2.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.178 0.513 . . . . 25.0 111.906 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.19 163.48 25.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.384 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 79.6 p -95.55 168.73 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -29.67 69.25 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.085 -0.646 . . . . 25.0 110.436 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.51 -33.13 62.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 119.77 -0.157 . . . . 25.0 111.408 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.23 -38.99 91.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.99 -42.7 77.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 25.0 109.639 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.8 -47.99 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.12 -34.07 77.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.587 -0.696 . . . . 25.0 112.64 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -70.31 -34.43 72.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.829 -0.544 . . . . 25.0 111.98 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.4 mm -67.13 -37.46 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.28 -1.007 . . . . 25.0 108.28 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.92 -27.92 67.16 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.528 0.204 . . . . 25.0 111.299 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -109.05 -18.65 13.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -79.37 78.74 5.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.934 0.873 . . . . 25.0 113.11 -173.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.08 -42.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.117 -0.947 . . . . 25.0 111.719 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -85.38 -3.6 58.89 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.02 20.77 79.68 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 117.189 1.636 . . . . 25.0 117.189 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.23 -0.1 56.19 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.133 1.531 . . . . 25.0 115.133 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.06 75.53 Favored Glycine 0 C--O 1.245 0.823 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.112 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -138.44 168.43 19.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 25.0 109.775 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -103.79 120.65 54.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -81.94 169.62 16.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.534 -2.024 . . . . 25.0 105.534 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.18 -46.89 88.18 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -61.79 -40.13 94.13 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.582 0.706 . . . . 25.0 111.255 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -35.29 80.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.224 -0.898 . . . . 25.0 111.478 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -67.18 -40.63 86.58 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.709 0.29 . . . . 25.0 110.376 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.6 -42.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -63.35 -42.22 98.89 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.536 -0.102 . . . . 25.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.3 ttt -60.4 -37.12 79.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.958 0.408 . . . . 25.0 111.126 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.2 ttm -71.89 -10.76 60.24 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.0 t -127.67 26.87 5.85 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.318 0.58 . . . . 25.0 109.558 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.75 164.97 9.06 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.633 0.73 . . . . 25.0 111.142 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.092 -0.956 . . . . 25.0 111.286 -176.665 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 118.2 -0.905 . . . . 25.0 109.216 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -57.29 96.37 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.538 0.685 . . . . 25.0 112.765 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -150.3 161.85 41.65 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.1 tp -62.73 -27.53 69.34 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.224 0.535 . . . . 25.0 111.495 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -25.21 64.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -67.03 -19.47 65.7 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -63.42 -45.12 92.42 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.92 -35.35 74.5 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.844 -0.535 . . . . 25.0 110.532 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.4 -36.3 74.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.38 74.81 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 122.104 -0.372 . . . . 25.0 111.261 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.87 -47.47 84.79 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.931 0.872 . . . . 25.0 108.71 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -72.07 -19.8 61.76 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.844 -0.617 . . . . 25.0 111.362 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -73.07 -42.25 63.25 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.047 -0.408 . . . . 25.0 110.353 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.87 -37.82 73.08 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.64 74.34 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.107 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -61.59 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.8 t -64.56 -33.54 76.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.281 0.562 . . . . 25.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -37.09 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 25.0 110.301 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -83.61 -35.76 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.37 92.81 5.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.761 0.791 . . . . 25.0 110.796 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.09 -21.82 61.44 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -171.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -116.64 0.16 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.0 24.56 75.71 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 115.463 0.945 . . . . 25.0 115.463 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -83.0 -5.36 59.07 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.98 74.84 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 114.572 0.589 . . . . 25.0 114.572 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.1 p -137.43 154.06 50.02 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 117.265 0.532 . . . . 25.0 110.893 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.4 mt -116.9 122.55 70.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -90.79 167.43 12.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -61.62 -27.83 68.94 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.228 0.537 . . . . 25.0 110.773 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -71.98 -41.2 67.95 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.71 -0.619 . . . . 25.0 110.231 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -67.23 -42.08 84.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.13 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.64 -49.57 77.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.364 0.602 . . . . 25.0 110.199 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -33.08 86.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 115.871 -0.604 . . . . 25.0 113.415 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.8 m -64.59 -45.33 87.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.231 -0.57 . . . . 25.0 109.779 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.04 -39.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.651 -0.419 . . . . 25.0 110.893 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.28 -43.54 88.06 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.02 -0.425 . . . . 25.0 110.015 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -73.68 -22.62 59.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.032 0.752 . . . . 25.0 113.032 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -72.39 -29.13 63.48 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.27 -1.41 44.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.716 0.807 . . . . 25.0 110.625 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.27 3.98 81.49 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-N 116.445 -0.343 . . . . 25.0 113.749 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -78.65 147.99 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.611 0.705 . . . . 25.0 109.396 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -117.17 57.18 1.91 Allowed Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.04 160.43 42.88 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 115.907 -2.262 . . . . 25.0 113.065 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -77.84 163.22 26.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -72.73 -18.94 61.47 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.398 -0.814 . . . . 25.0 110.17 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.56 68.26 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 122.516 -0.115 . . . . 25.0 110.834 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.24 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.079 0.942 . . . . 25.0 108.666 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.64 -23.48 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -79.54 -49.78 11.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 119.315 -0.374 . . . . 25.0 111.022 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -69.56 -28.61 66.13 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.881 0.764 . . . . 25.0 112.274 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mtp -61.24 -33.03 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 25.0 110.638 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -85.37 -46.23 17.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-N 116.224 -0.444 . . . . 25.0 110.993 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.73 -33.38 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 117.777 0.262 . . . . 25.0 111.509 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.99 -21.31 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.317 1.228 . . . . 25.0 114.317 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.93 -16.79 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 -177.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -84.28 51.53 2.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.399 0.68 . . . . 25.0 111.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -20.21 66.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.276 0.56 . . . . 25.0 111.15 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.394 0.678 . . . . 25.0 110.962 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.35 14.41 81.97 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 117.64 1.816 . . . . 25.0 117.64 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -78.79 -1.62 35.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.517 1.658 . . . . 25.0 114.088 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.46 4.08 90.28 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 115.265 0.866 . . . . 25.0 115.265 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.8 p -136.06 161.49 35.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.266 0.533 . . . . 25.0 110.395 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.7 mt -90.38 116.78 32.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.725 -1.583 . . . . 25.0 106.725 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.93 173.37 8.26 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.45 -51.27 79.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 25.0 115.833 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.02 -21.29 24.35 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 113.366 -3.956 . . . . 25.0 113.536 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.37 -34.44 65.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -68.2 -36.94 80.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.809 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -46.15 89.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 m -65.91 -42.96 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 25.0 111.176 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.8 ttp -59.88 -42.08 92.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.304 0.573 . . . . 25.0 110.397 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.8 mmm -75.2 -34.36 61.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.91 79.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.906 0.384 . . . . 25.0 110.138 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -65.59 -20.09 66.18 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -94.71 -11.67 28.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.752 0.279 . . . . 25.0 111.752 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 98.5 mtp -128.4 42.38 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.418 0.628 . . . . 25.0 110.409 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -69.7 165.05 22.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 173.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -79.7 -166.5 1.0 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.189 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.27 -49.2 4.54 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 118.596 2.813 . . . . 25.0 118.596 -167.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -13.93 92.45 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 -169.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.3 p -68.82 140.91 55.25 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 122.226 1.012 . . . . 25.0 113.352 -165.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.62 -34.78 74.75 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 114.986 -1.006 . . . . 25.0 111.287 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -62.99 -42.67 99.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 -174.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.85 -44.74 88.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.71 0.767 . . . . 25.0 110.121 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.401 HG21 HG22 ' A' ' 142' ' ' VAL . 71.0 mt -65.95 -39.45 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.587 -0.733 . . . . 25.0 109.618 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -65.28 -39.06 92.08 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.836 -0.54 . . . . 25.0 112.261 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.18 -43.35 91.97 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.735 -0.786 . . . . 25.0 109.856 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.02 89.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.361 0.601 . . . . 25.0 111.235 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.47 -42.46 98.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.346 0.593 . . . . 25.0 110.683 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -69.1 -13.77 62.62 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 114.484 1.29 . . . . 25.0 114.484 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.67 -38.57 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 174.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -89.89 -44.37 9.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.232 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.15 64.08 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.12 0.962 . . . . 25.0 108.658 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -60.03 -31.23 69.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.713 -1.13 . . . . 25.0 112.312 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.0 -18.82 49.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.47 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.14 24.96 65.01 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 117.733 1.853 . . . . 25.0 117.733 172.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.52 -0.08 56.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.649 1.352 . . . . 25.0 114.649 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.45 2.69 61.67 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.567 0.587 . . . . 25.0 114.567 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -139.5 138.88 36.75 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.517 0.327 . . . . 25.0 110.277 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.96 111.31 27.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.8 p -82.26 163.07 22.09 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.867 -0.733 . . . . 25.0 109.429 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.52 79.09 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.26 83.33 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.99 0.424 . . . . 25.0 111.467 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.79 -43.77 71.43 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.62 -41.7 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.49 0.662 . . . . 25.0 109.424 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -38.07 83.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.018 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.84 -45.41 86.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.306 -0.247 . . . . 25.0 110.565 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.64 -45.17 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mmt -62.58 -40.58 97.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.353 -0.217 . . . . 25.0 111.569 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.6 m -62.74 -38.87 92.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.729 0.3 . . . . 25.0 110.539 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.95 -28.06 62.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.307 -0.246 . . . . 25.0 111.174 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 mt -72.82 -25.25 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 122.83 -16.84 8.26 Favored Glycine 0 C--N 1.328 0.114 0 CA-C-N 116.055 -0.521 . . . . 25.0 112.487 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -71.23 134.32 46.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 25.0 110.312 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -114.69 54.57 0.77 Allowed 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.607 0.718 . . . . 25.0 110.496 -174.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.43 163.32 27.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.224 -1.353 . . . . 25.0 107.357 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -92.35 168.02 11.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.51 -34.56 78.06 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -64.36 -40.52 96.0 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.542 -1.208 . . . . 25.0 112.24 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.17 -37.36 85.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.542 0.686 . . . . 25.0 109.902 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -71.56 -34.42 52.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 116.112 -0.495 . . . . 25.0 110.162 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.32 -44.89 96.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.177 0.513 . . . . 25.0 109.802 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.72 -37.52 82.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.12 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 95.8 mtp -69.45 -38.08 77.62 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.17 -38.27 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -60.39 -25.04 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.05 -20.69 66.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -123.38 3.43 9.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -86.77 76.85 9.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.503 0.668 . . . . 25.0 111.208 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.4 -44.26 97.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.712 -0.677 . . . . 25.0 112.035 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -87.34 -2.59 58.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.047 1.129 . . . . 25.0 114.047 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.11 17.39 80.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 116.987 1.555 . . . . 25.0 116.987 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.22 1.53 50.43 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.08 10.1 84.32 Favored Glycine 0 C--O 1.24 0.476 0 C-N-CA 121.325 -0.464 . . . . 25.0 114.23 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -137.78 171.14 14.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.19 116.71 47.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.776 -1.565 . . . . 25.0 106.776 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.94 166.64 23.05 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 -177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -59.43 -43.58 93.08 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 120.416 -0.514 . . . . 25.0 110.775 174.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.23 -37.86 88.88 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.463 0.649 . . . . 25.0 112.363 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.24 -34.79 76.86 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -69.07 -38.01 78.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.032 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.401 HG22 HG21 ' A' ' 85' ' ' ILE . 78.8 t -62.78 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -63.39 -37.43 87.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 25.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.5 ttm -64.4 -39.02 93.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.217 0.532 . . . . 25.0 111.181 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ttt -76.11 -33.4 59.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.1 t -88.67 -5.64 58.0 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.229 0.826 . . . . 25.0 113.229 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.62 168.41 14.35 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.115 0.784 . . . . 25.0 113.115 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 C--O 1.245 0.854 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 177.698 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 118.532 -0.747 . . . . 25.0 109.827 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -153.46 -178.19 6.84 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -73.33 161.47 30.44 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.615 0.721 . . . . 25.0 112.039 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.65 129.42 39.8 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.151 -0.477 . . . . 25.0 110.241 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -86.87 -32.04 20.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.423 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.89 -32.28 73.43 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.098 0.777 . . . . 25.0 113.098 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -64.86 -38.24 90.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.96 0.41 . . . . 25.0 109.929 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.54 -41.41 79.9 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.4 -37.59 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.05 -46.73 83.11 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.402 0.546 . . . . 25.0 111.03 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.2 -44.7 88.21 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.72 0.771 . . . . 25.0 111.222 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.56 -28.65 67.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.742 -0.599 . . . . 25.0 112.036 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.54 -38.72 74.24 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.25 -43.26 87.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.6 78.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.782 0.433 . . . . 25.0 111.533 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -68.73 -45.5 71.36 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 120.965 0.412 . . . . 25.0 110.047 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.1 t -67.18 -20.38 65.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.397 0.618 . . . . 25.0 111.337 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -27.71 65.81 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 116.18 -0.464 . . . . 25.0 110.384 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.02 -41.41 8.77 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.614 0.365 . . . . 25.0 111.234 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.95 101.67 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.654 0.781 . . . . 25.0 109.109 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -70.57 -24.64 62.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 121.772 -0.58 . . . . 25.0 111.681 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -84.48 -27.65 27.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.296 0.569 . . . . 25.0 110.476 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 15.58 78.51 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.389 -0.823 . . . . 25.0 113.632 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -79.31 -25.85 42.33 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.13 -2.35 8.38 Favored Glycine 0 C--O 1.241 0.57 0 C-N-CA 121.451 -0.405 . . . . 25.0 114.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -134.59 146.57 49.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 117.458 0.629 . . . . 25.0 111.367 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.13 124.61 69.94 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 t -104.06 169.91 8.22 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.0 p -56.0 -39.16 71.48 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.445 0.64 . . . . 25.0 111.71 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -60.7 -42.68 97.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.55 0.69 . . . . 25.0 110.606 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.78 -42.26 70.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.505 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.12 -41.81 93.44 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.9 -33.32 85.37 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 121.465 -0.398 . . . . 25.0 113.543 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.6 m -67.49 -44.9 77.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.34 -43.38 94.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.908 -0.405 . . . . 25.0 109.908 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.4 -45.85 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.117 0.414 . . . . 25.0 112.117 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -70.47 -23.89 62.77 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -69.88 -30.19 67.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.21 -2.67 58.79 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.623 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.48 1.89 65.95 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 115.25 0.86 . . . . 25.0 115.25 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -82.59 155.44 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.904 -0.763 . . . . 25.0 111.774 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -127.1 54.86 13.27 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 115.494 1.665 . . . . 25.0 115.494 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.01 151.26 61.79 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 115.488 -2.541 . . . . 25.0 113.249 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.5 p -74.05 161.97 29.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.98 -18.78 62.6 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.455 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.61 69.0 Favored 'General case' 0 C--O 1.205 -1.263 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.4 -38.82 88.35 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.9 -35.38 80.48 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.77 -0.581 . . . . 25.0 110.301 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -68.89 -44.3 73.48 Favored 'General case' 0 C--O 1.198 -1.609 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.79 -45.49 94.2 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-O 121.895 0.855 . . . . 25.0 111.581 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.6 mtt -60.79 -24.47 65.82 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -86.26 -45.56 16.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.24 -30.27 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -52.36 -32.75 39.95 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -9.9 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -83.85 52.08 2.2 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 123.287 0.635 . . . . 25.0 110.812 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.28 61.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.025 0.44 . . . . 25.0 111.688 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -82.71 -9.48 59.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.908 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.92 79.19 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 116.469 1.348 . . . . 25.0 116.469 175.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.86 -6.05 58.29 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.192 1.496 . . . . 25.0 113.965 -176.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.62 -2.08 84.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 117.153 1.621 . . . . 25.0 117.153 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.7 p -138.25 149.06 45.38 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 117.664 0.732 . . . . 25.0 112.261 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.96 111.86 21.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.545 1.164 . . . . 25.0 108.222 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -88.35 171.28 10.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.234 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.38 -49.81 83.27 Favored Pre-proline 0 CA--C 1.554 1.103 0 N-CA-C 114.682 1.364 . . . . 25.0 114.682 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -64.13 -30.53 65.37 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 115.221 -2.72 . . . . 25.0 115.195 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.21 -29.09 60.2 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.711 -0.618 . . . . 25.0 109.689 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.9 -35.92 72.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.09 -38.52 90.99 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.4 m -66.08 -37.52 85.99 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.664 0.745 . . . . 25.0 110.697 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.8 ttp -64.58 -37.81 88.86 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 121.678 -0.639 . . . . 25.0 110.27 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.0 mtm -75.54 -34.63 60.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.53 93.52 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 122.802 0.441 . . . . 25.0 111.43 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -71.99 -10.77 60.25 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.597 -0.689 . . . . 25.0 112.662 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -94.03 -36.4 12.15 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 122.095 -0.378 . . . . 25.0 110.934 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.8 mmt -102.62 14.58 31.59 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.739 0.65 . . . . 25.0 110.793 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt 45.05 46.03 9.2 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.427 1.491 . . . . 25.0 114.414 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -86.6 56.31 3.95 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 170.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -132.75 -161.14 1.11 Allowed 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 107.776 -1.194 . . . . 25.0 107.776 -168.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.69 160.49 7.28 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 122.031 0.92 . . . . 25.0 112.934 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.7 p -60.56 152.83 25.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.579 -1.191 . . . . 25.0 113.712 -172.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -61.7 -24.06 66.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.121 -0.945 . . . . 25.0 111.67 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 86' ' ' ARG . 2.4 mm-40 -60.06 -36.37 77.2 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.1 -47.26 77.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.441 1.115 . . . . 25.0 109.554 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.77 -35.39 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 83' ' ' GLU . 6.3 mtp180 -65.77 -22.37 66.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 118.454 -0.784 . . . . 25.0 111.613 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' HH11 ' A' ' 90' ' ' ARG . 47.7 mt-10 -67.92 -44.11 77.64 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.801 1.182 . . . . 25.0 108.42 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.38 76.73 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.893 0.854 . . . . 25.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 73.1 t80 -63.5 -39.05 93.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 25.0 109.7 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 87' ' ' GLU . 37.1 mtm-85 -71.12 -11.46 60.96 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 114.125 1.158 . . . . 25.0 114.125 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.78 -36.78 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 106.922 -1.51 . . . . 25.0 106.922 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -93.43 -47.2 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.015 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -83.86 56.39 3.66 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 121.436 0.636 . . . . 25.0 110.536 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -65.33 -25.78 67.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.652 0.739 . . . . 25.0 110.628 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -75.89 -14.03 60.27 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.196 -0.911 . . . . 25.0 111.795 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.68 72.87 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 116.571 1.389 . . . . 25.0 116.571 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.58 -1.29 57.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.226 1.513 . . . . 25.0 114.108 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.54 3.74 64.47 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 114.594 0.598 . . . . 25.0 114.594 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.19 151.21 47.49 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 122.455 -0.438 . . . . 25.0 110.128 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -105.69 124.15 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 171.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.7 p -95.96 166.08 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 25.0 110.01 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.51 82.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.037 0.446 . . . . 25.0 110.582 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -68.85 -41.62 78.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 25.0 111.207 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.77 -51.02 70.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.54 -0.755 . . . . 25.0 109.157 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -60.3 -37.73 81.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.712 -0.676 . . . . 25.0 112.02 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.14 -45.0 93.96 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.948 -0.47 . . . . 25.0 111.56 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.88 -42.25 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-O 120.917 0.389 . . . . 25.0 110.275 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.9 mtp -66.25 -32.26 73.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 113.992 1.108 . . . . 25.0 113.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.6 m -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.189 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -70.97 -23.62 62.25 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.48 -16.89 60.26 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.065 0.546 . . . . 25.0 110.653 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.87 -9.79 60.22 Favored Glycine 0 C--O 1.246 0.889 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.692 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.42 134.39 45.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.522 0.677 . . . . 25.0 110.295 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -109.18 67.2 0.65 Allowed 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.51 0.672 . . . . 25.0 110.195 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.69 155.52 40.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.13 -0.941 . . . . 25.0 109.886 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.0 p -88.64 176.34 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -32.09 71.27 Favored 'General case' 0 C--O 1.202 -1.409 0 C-N-CA 119.482 -0.887 . . . . 25.0 108.66 174.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.37 -41.48 98.81 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.478 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -62.96 -33.73 76.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.18 0.514 . . . . 25.0 110.762 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -78.88 -38.87 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.91 -44.18 94.44 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.54 -49.78 76.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.139 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.5 mtm -59.31 -34.74 72.69 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -77.43 -45.27 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 119.416 -0.326 . . . . 25.0 111.554 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -65.93 -34.08 77.31 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.51 -15.82 61.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.575 0.702 . . . . 25.0 110.459 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.3 -18.69 15.33 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.054 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -81.91 73.37 8.95 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.682 0.993 . . . . 25.0 113.682 -173.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.33 -45.26 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -86.98 -3.95 59.13 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 114.526 1.306 . . . . 25.0 114.526 -174.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.41 15.51 81.44 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.54 -1.2 49.9 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.594 1.197 . . . . 25.0 112.938 -177.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.85 3.29 85.84 Favored Glycine 0 C--O 1.24 0.531 0 C-N-CA 120.696 -0.764 . . . . 25.0 114.639 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -132.84 169.68 16.4 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.78 114.64 44.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.34 171.25 15.44 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.81 -1.552 . . . . 25.0 106.81 -175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.431 ' HA ' ' CE2' ' A' ' 89' ' ' PHE . 71.0 t80 -60.28 -45.12 94.44 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.063 -1.023 . . . . 25.0 112.452 177.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.39 -36.83 85.43 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.413 0.625 . . . . 25.0 111.798 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.87 -35.36 76.81 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.84 -0.618 . . . . 25.0 109.803 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.19 -40.43 96.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -43.55 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -62.41 -45.72 91.83 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.046 -0.409 . . . . 25.0 111.595 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.78 -36.79 79.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.06 0.457 . . . . 25.0 109.905 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.9 ttp -81.45 -14.68 56.78 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.7 t -111.5 -7.51 14.32 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.34 149.86 31.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 174.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 C--O 1.248 1.003 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 178.585 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.951 -0.389 . . . . 25.0 109.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -84.02 -26.21 29.31 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.366 0.266 . . . . 25.0 111.262 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -132.2 158.66 41.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.61 150.35 28.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.9 p -79.3 157.92 27.61 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.06 -27.14 67.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.524 0.678 . . . . 25.0 109.319 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -63.79 -44.56 92.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.782 -0.645 . . . . 25.0 110.351 175.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -65.11 -37.94 89.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.581 0.705 . . . . 25.0 110.759 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.22 -38.16 79.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.61 -40.77 76.41 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.881 -0.512 . . . . 25.0 111.265 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -60.5 -49.04 79.14 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.273 1.035 . . . . 25.0 109.964 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -72.48 -15.66 61.8 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.845 -0.616 . . . . 25.0 112.026 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -66.31 -40.08 89.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -68.74 -40.46 79.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.127 0.489 . . . . 25.0 109.825 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.92 85.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.019 0.438 . . . . 25.0 111.446 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.37 -44.45 78.94 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.635 -0.505 . . . . 25.0 109.635 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 t -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 25.0 110.684 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -26.61 68.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.152 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.95 -36.51 11.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 25.0 110.831 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -79.76 82.69 5.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.763 0.792 . . . . 25.0 110.55 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.03 -26.27 63.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.261 0.837 . . . . 25.0 113.261 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -96.1 -13.99 23.21 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.25 81.23 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 116.902 1.521 . . . . 25.0 116.902 173.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.49 -5.96 55.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.03 58.22 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 114.814 0.685 . . . . 25.0 114.814 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 p -133.9 160.26 38.2 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.526 0.663 . . . . 25.0 111.087 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.13 124.98 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.727 -1.583 . . . . 25.0 106.727 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -108.03 167.58 9.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -36.4 70.1 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 122.096 -0.377 . . . . 25.0 111.555 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.03 -44.78 83.24 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.367 0.604 . . . . 25.0 110.937 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.31 -44.29 62.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.301 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.11 -44.23 97.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.676 0.751 . . . . 25.0 110.02 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -34.2 85.8 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.323 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -63.79 -41.63 97.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.24 -45.9 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.9 mtt -61.12 -44.44 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.54 -19.43 60.34 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.801 -0.76 . . . . 25.0 112.159 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -71.58 -23.17 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -90.82 1.86 56.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.688 . . . . 25.0 111.105 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.28 -1.26 57.35 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 116.071 1.188 . . . . 25.0 116.071 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -74.63 160.44 30.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.126 0.963 . . . . 25.0 110.153 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -124.47 56.07 11.45 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 111.938 0.348 . . . . 25.0 111.938 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.9 162.79 26.37 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 116.367 -1.955 . . . . 25.0 114.899 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -95.62 162.86 13.45 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.7 -32.75 74.48 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.49 -0.756 . . . . 25.0 112.662 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.74 78.32 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.777 0.322 . . . . 25.0 110.792 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -63.59 -38.32 90.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.171 0.986 . . . . 25.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.8 mt -73.54 -31.34 63.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.597 -0.729 . . . . 25.0 110.25 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -70.61 -37.36 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.49 -28.76 66.34 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 119.305 -0.958 . . . . 25.0 110.437 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -68.99 -27.84 66.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.018 -0.426 . . . . 25.0 110.891 175.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.5 mt -79.71 -47.19 22.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.25 -31.88 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 122.518 0.327 . . . . 25.0 110.819 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.92 -20.17 61.68 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -9.18 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -84.58 55.07 3.25 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.718 0.807 . . . . 25.0 111.523 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -15.98 63.24 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.212 0.53 . . . . 25.0 112.202 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -83.56 -19.39 35.68 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.74 0.816 . . . . 25.0 112.063 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.39 17.44 73.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.469 1.348 . . . . 25.0 116.469 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.01 -6.22 55.82 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.1 1.519 . . . . 25.0 115.1 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.04 4.56 86.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 117.552 1.781 . . . . 25.0 117.552 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -137.52 158.99 43.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.218 1.009 . . . . 25.0 110.547 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.7 mt -88.59 116.33 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.71 172.12 11.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.05 -48.84 96.37 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 114.535 1.309 . . . . 25.0 114.535 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.99 -28.11 49.97 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.285 -3.344 . . . . 25.0 113.656 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.05 -32.63 65.18 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -67.11 -39.89 86.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.33 -39.26 93.54 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 109.265 -0.643 . . . . 25.0 109.265 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.37 -39.25 92.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.876 0.369 . . . . 25.0 110.505 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttt -63.94 -40.67 96.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.405 0.621 . . . . 25.0 110.409 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.5 mmt -73.76 -28.2 61.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.954 -0.466 . . . . 25.0 111.056 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.38 67.25 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.77 0.319 . . . . 25.0 110.38 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -64.53 -24.59 67.65 Favored 'General case' 0 C--O 1.208 -1.125 0 O-C-N 121.841 -0.537 . . . . 25.0 111.381 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -84.98 -27.67 26.31 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 117.962 0.346 . . . . 25.0 111.213 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.3 mtt -65.97 -26.54 67.61 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 111.821 0.304 . . . . 25.0 111.821 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -89.27 -2.98 58.68 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -103.74 12.67 34.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 -175.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 t -149.27 156.68 42.49 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 106.244 -1.761 . . . . 25.0 106.244 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.89 129.63 40.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 176.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.1 p -83.63 163.94 20.02 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.14 -33.73 73.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.513 -0.742 . . . . 25.0 110.516 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -72.47 -31.63 65.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.781 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -70.83 -39.33 73.07 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.114 -0.494 . . . . 25.0 110.528 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.17 -37.91 81.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -63.2 -41.45 99.17 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.608 -0.683 . . . . 25.0 110.519 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.324 -0.235 . . . . 25.0 111.487 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.32 85.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.94 0.4 . . . . 25.0 110.717 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -63.21 -40.25 96.95 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.4 -14.96 63.37 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.25 -40.7 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -94.76 -40.21 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -81.49 73.64 8.52 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.851 0.834 . . . . 25.0 109.589 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -74.99 -29.66 60.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -85.21 -10.39 56.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.66 0.267 . . . . 25.0 110.591 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.35 75.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -81.61 0.69 37.25 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.185 0.993 . . . . 25.0 113.357 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.48 2.57 72.98 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 115.003 0.761 . . . . 25.0 115.003 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -140.79 157.82 44.85 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 117.032 0.416 . . . . 25.0 110.294 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 mt -119.56 107.3 20.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.1 p -83.77 166.13 18.27 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.886 -0.509 . . . . 25.0 110.682 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.98 90.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.064 0.459 . . . . 25.0 111.379 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.37 77.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.34 0.59 . . . . 25.0 110.758 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -72.11 -40.66 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.1 tp -65.62 -41.97 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 25.0 109.505 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -37.91 74.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.689 . . . . 25.0 110.673 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -60.32 -43.9 95.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 25.0 110.671 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.05 -48.09 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.16 0.505 . . . . 25.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.6 mtt -65.12 -39.52 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.4 m -63.61 -38.47 91.24 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -72.15 -23.91 61.37 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 120.848 -0.341 . . . . 25.0 111.278 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.75 -11.09 59.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.001 0.429 . . . . 25.0 109.957 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.46 8.6 65.84 Favored Glycine 0 C--O 1.241 0.566 0 CA-C-N 116.133 -0.485 . . . . 25.0 112.819 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.31 123.91 24.0 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -92.88 53.68 2.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.382 0.61 . . . . 25.0 110.807 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.0 mt -81.81 162.82 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.7 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.7 p -94.51 169.56 10.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -70.47 -29.07 65.52 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.85 -35.68 78.99 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 116.039 -0.528 . . . . 25.0 111.529 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.65 -38.17 90.11 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.579 0.704 . . . . 25.0 109.714 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.18 -39.76 65.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -60.69 -44.44 96.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.271 0.558 . . . . 25.0 110.258 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.91 -43.56 98.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.787 177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.7 mtm -65.79 -34.79 78.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.1 mm -71.84 -39.11 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 mtm105 -62.87 -26.19 68.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -69.03 -17.16 63.86 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 121.022 0.439 . . . . 25.0 111.214 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.94 -12.94 11.96 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.07 75.47 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.576 0.703 . . . . 25.0 112.097 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.59 -43.63 98.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.347 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -86.61 -4.18 59.14 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.39 1.255 . . . . 25.0 114.39 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.52 20.25 79.62 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 116.82 1.488 . . . . 25.0 116.82 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -0.74 56.09 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.47 8.42 80.8 Favored Glycine 0 C--O 1.242 0.6 0 C-N-CA 121.172 -0.537 . . . . 25.0 113.639 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.45 168.53 19.46 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.204 -0.586 . . . . 25.0 109.924 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.0 t -100.62 120.69 50.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -80.52 171.13 15.44 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.59 -48.68 80.69 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.08 -35.22 77.82 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.146 -0.971 . . . . 25.0 111.544 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.54 -32.87 74.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.699 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.99 -34.78 77.19 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.97 -0.456 . . . . 25.0 111.015 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.83 -39.97 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.396 -0.964 . . . . 25.0 108.396 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -63.88 -40.22 96.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.895 -0.503 . . . . 25.0 110.71 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.8 ttt -66.02 -21.62 66.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.375 0.607 . . . . 25.0 111.732 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.9 ttm -76.16 -22.21 55.66 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.918 -0.489 . . . . 25.0 111.504 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t -115.25 -3.99 12.46 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.22 146.43 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.044 0.45 . . . . 25.0 110.894 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.9 tttt . . . . . 0 C--O 1.255 1.382 0 N-CA-C 101.181 -3.637 . . . . 25.0 101.181 174.895 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.673 -0.491 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -65.67 -28.36 69.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.481 0.658 . . . . 25.0 111.533 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -137.26 163.48 30.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.573 -0.739 . . . . 25.0 109.517 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.29 162.48 27.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.882 -1.054 . . . . 25.0 110.58 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.7 p -95.64 145.88 24.91 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.1 -31.77 72.83 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -65.07 -40.91 95.34 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.161 0.505 . . . . 25.0 111.271 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -65.39 -39.21 91.94 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 121.153 0.501 . . . . 25.0 110.494 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.26 -38.82 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 121.834 -0.541 . . . . 25.0 109.65 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.53 78.33 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.947 -0.471 . . . . 25.0 110.424 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.33 -46.66 83.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.552 1.168 . . . . 25.0 111.096 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -69.95 -25.83 63.83 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.571 -0.706 . . . . 25.0 112.258 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -70.5 -41.85 72.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.105 -0.331 . . . . 25.0 110.105 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -71.86 -34.4 69.19 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.473 -0.491 . . . . 25.0 110.322 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.24 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.129 -0.357 . . . . 25.0 110.525 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -67.2 -42.42 84.16 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.207 -0.308 . . . . 25.0 110.264 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -60.91 -33.87 73.8 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.662 0.744 . . . . 25.0 112.143 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.29 -37.98 85.15 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 122.276 1.036 . . . . 25.0 111.774 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -78.99 -36.75 40.8 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.727 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -77.21 102.39 6.62 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.394 0.616 . . . . 25.0 110.685 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -69.69 -23.38 63.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.608 0.966 . . . . 25.0 113.608 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -88.85 -28.11 20.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 25.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.22 16.22 80.71 Favored Glycine 0 C--O 1.224 -0.503 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.58 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.15 -13.77 49.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.898 1.073 . . . . 25.0 113.898 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.92 -0.45 28.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 114.719 0.648 . . . . 25.0 114.719 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -132.19 145.15 51.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.662 0.731 . . . . 25.0 111.572 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -108.44 120.77 60.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -91.14 166.25 13.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 t -62.16 -27.71 69.14 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.563 0.696 . . . . 25.0 111.038 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.52 -44.79 73.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.534 0.683 . . . . 25.0 109.927 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.11 -42.27 80.5 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.526 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.01 -44.83 91.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -38.09 95.64 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-N 115.91 -0.586 . . . . 25.0 113.02 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 m -64.69 -41.59 95.92 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.826 -0.808 . . . . 25.0 110.229 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.17 -45.33 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 121.679 -0.638 . . . . 25.0 109.453 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.74 -42.35 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -72.48 -25.95 61.62 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -71.06 -26.9 63.28 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.86 3.62 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.633 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.35 8.54 81.02 Favored Glycine 0 C--O 1.222 -0.652 0 N-CA-C 114.632 0.613 . . . . 25.0 114.632 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -100.07 138.5 37.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.184 0.492 . . . . 25.0 109.689 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -119.44 59.83 5.35 Favored Pre-proline 0 CA--C 1.556 1.192 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -68.19 166.66 24.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 N-CA-C 114.936 1.091 . . . . 25.0 114.936 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.5 p -83.13 167.11 18.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.335 -0.616 . . . . 25.0 109.335 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -68.68 -32.28 71.98 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.564 -0.71 . . . . 25.0 111.085 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.43 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 25.0 110.409 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -67.18 -39.77 86.47 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.558 0.694 . . . . 25.0 109.571 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.1 mt -68.98 -25.72 64.67 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.063 -0.398 . . . . 25.0 110.841 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -76.07 -38.2 57.33 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 117.977 -1.011 . . . . 25.0 112.294 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.73 -27.93 68.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.652 1.115 . . . . 25.0 111.561 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 55.3 mtt -66.49 -27.03 67.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.173 0.511 . . . . 25.0 111.479 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.3 mt -87.19 -45.74 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.41 -32.61 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 123.456 0.702 . . . . 25.0 111.398 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.6 -20.82 22.93 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.69 -22.53 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -80.58 44.43 0.72 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.09 -14.18 62.86 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.163 0.506 . . . . 25.0 109.689 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -77.86 -18.41 56.26 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.582 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.44 4.16 89.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 119.638 2.615 . . . . 25.0 119.638 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -79.24 -1.26 35.67 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.744 1.772 . . . . 25.0 114.318 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.88 -3.01 85.38 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.943 1.537 . . . . 25.0 116.943 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.3 p -137.03 171.25 14.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 117.227 0.513 . . . . 25.0 111.522 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.3 mt -105.44 109.9 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.24 169.02 12.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.78 -49.7 90.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 N-CA-C 115.61 1.707 . . . . 25.0 115.61 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.39 -18.72 38.58 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 114.274 -3.351 . . . . 25.0 113.398 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -80.79 -22.71 39.84 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.699 -0.626 . . . . 25.0 111.238 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.74 -37.45 82.19 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.96 -37.81 84.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.046 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -64.26 -38.24 90.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.827 -0.546 . . . . 25.0 111.3 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.4 ttm -59.63 -44.09 93.61 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.78 -40.25 88.12 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.912 -0.403 . . . . 25.0 109.912 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.12 85.24 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.729 -0.607 . . . . 25.0 111.61 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -69.47 -13.05 62.14 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -106.16 -24.49 12.32 Favored 'General case' 0 C--O 1.209 -1.042 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.9 mmt -100.17 -4.64 29.15 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.745 -0.661 . . . . 25.0 112.367 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -71.14 153.56 42.42 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.921 0.391 . . . . 25.0 110.453 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -69.1 153.51 43.62 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 105.553 -2.017 . . . . 25.0 105.553 169.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -129.93 153.19 48.59 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.193 -1.039 . . . . 25.0 108.193 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -93.75 -142.3 0.23 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.0 p -64.11 -4.09 3.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.92 -19.1 65.67 Favored 'General case' 0 C--O 1.21 -1.001 0 O-C-N 121.228 -0.92 . . . . 25.0 111.16 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -63.99 -42.56 97.15 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.76 -40.53 88.28 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.729 0.775 . . . . 25.0 109.291 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.3 mt -64.42 -38.16 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.085 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -67.97 -36.45 80.07 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.696 -0.627 . . . . 25.0 111.926 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.43 -46.04 90.36 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.04 -34.78 78.31 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.492 0.495 . . . . 25.0 111.608 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.36 -41.11 93.01 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -70.06 -15.59 63.02 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.26 -35.52 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 175.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -88.33 -43.0 11.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 25.0 111.07 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -83.94 80.17 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.862 0.839 . . . . 25.0 110.551 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.79 -15.89 60.73 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.926 -1.034 . . . . 25.0 112.586 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -75.24 -27.01 59.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.276 0.56 . . . . 25.0 109.838 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.35 27.93 66.94 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.585 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -105.84 5.7 30.96 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.956 1.836 . . . . 25.0 115.956 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 5.11 75.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 115.397 0.919 . . . . 25.0 115.397 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -134.96 133.46 39.54 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.4 mt -100.09 113.87 36.9 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 106.828 -1.545 . . . . 25.0 106.828 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.9 p -78.47 160.58 27.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.893 -0.723 . . . . 25.0 109.967 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.83 76.54 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.91 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.241 0.544 . . . . 25.0 110.944 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -64.51 -46.59 82.29 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -43.79 92.56 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.006 0.431 . . . . 25.0 111.418 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.28 -37.12 82.02 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.815 -0.553 . . . . 25.0 110.627 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -65.7 -38.14 88.38 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.357 -0.537 . . . . 25.0 110.7 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.89 -43.31 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.1 mtp -62.83 -40.92 98.9 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.76 0.314 . . . . 25.0 111.292 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.5 m -61.53 -39.83 92.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.368 0.604 . . . . 25.0 110.025 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -73.82 -23.15 59.62 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.68 -13.43 60.62 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 121.504 0.669 . . . . 25.0 109.468 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.67 32.23 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.853 -0.612 . . . . 25.0 113.079 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.26 118.64 28.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.303 1.049 . . . . 25.0 112.592 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -95.85 61.73 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.79 155.58 40.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -84.84 166.69 16.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 106.556 -1.646 . . . . 25.0 106.556 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.96 -36.13 82.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.816 -0.354 . . . . 25.0 110.066 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -67.61 -37.07 82.01 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.21 -38.31 90.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.427 0.632 . . . . 25.0 109.842 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.07 -35.89 55.11 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.483 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.58 -41.99 87.01 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -60.96 -38.85 87.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 120.846 -0.342 . . . . 25.0 111.722 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.38 -34.17 74.13 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.0 mm -72.22 -37.46 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -59.08 -26.08 64.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -70.53 -15.95 62.83 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.169 0.509 . . . . 25.0 111.024 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -116.72 -26.5 6.96 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -77.99 90.13 4.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.735 0.643 . . . . 25.0 112.735 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.71 -44.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 122.982 0.513 . . . . 25.0 111.829 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -84.13 -9.99 58.14 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.971 1.1 . . . . 25.0 113.971 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.74 22.09 77.6 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.438 -0.646 . . . . 25.0 114.575 174.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -83.63 -0.49 50.81 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.74 11.1 80.21 Favored Glycine 0 C--O 1.249 1.033 0 N-CA-C 112.04 -0.424 . . . . 25.0 112.04 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.95 163.41 30.34 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.657 0.742 . . . . 25.0 111.126 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.47 113.87 44.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -75.26 167.46 21.87 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.37 -2.455 . . . . 25.0 104.37 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -59.23 -43.87 92.35 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.477 -1.389 . . . . 25.0 112.828 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.5 -39.04 91.4 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.717 -0.615 . . . . 25.0 112.587 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.78 -33.93 76.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.608 -0.723 . . . . 25.0 110.783 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -68.91 -39.02 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.165 0.507 . . . . 25.0 110.997 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.31 -42.87 97.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 146' ' ' THR . 33.3 tt0 -61.1 -43.62 98.6 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 122.139 -0.35 . . . . 25.0 111.013 176.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.98 -41.42 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.16 0.505 . . . . 25.0 111.206 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.7 ptm -93.67 4.22 54.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.47 1.285 . . . . 25.0 114.47 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 143' ' ' GLN . 2.4 t -109.77 -5.59 15.53 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.838 -0.538 . . . . 25.0 111.115 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.08 74.46 6.86 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 175.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.7 pttt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 116.783 -1.579 . . . . 25.0 108.001 -173.814 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 118.601 -0.714 . . . . 25.0 109.095 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -67.1 150.53 49.05 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.928 0.768 . . . . 25.0 110.742 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.79 175.06 13.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -159.76 -54.44 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.734 0.778 . . . . 25.0 111.07 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -44.4 97.36 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.091 0.774 . . . . 25.0 113.091 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.52 -18.33 65.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.553 0.945 . . . . 25.0 113.553 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -65.22 -48.66 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -67.94 -34.06 75.87 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 120.923 0.392 . . . . 25.0 110.52 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.7 -40.56 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 107.996 -1.112 . . . . 25.0 107.996 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.75 83.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.038 0.381 . . . . 25.0 110.717 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.72 -47.93 83.7 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.618 0.723 . . . . 25.0 110.827 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -72.43 -21.07 61.31 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.425 -0.797 . . . . 25.0 111.729 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.68 -37.7 73.67 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.809 -0.557 . . . . 25.0 110.474 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.64 -42.82 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.59 76.41 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.178 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -67.73 -45.09 76.02 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -63.26 -29.94 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.811 0.815 . . . . 25.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -21.92 65.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.827 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -102.79 -39.52 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.546 0.338 . . . . 25.0 111.203 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.83 82.17 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.02 0.914 . . . . 25.0 110.855 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.08 -21.66 62.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.22 -14.01 19.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.08 82.73 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.6 -2.68 43.66 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.05 4.84 66.52 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-O 119.588 -0.562 . . . . 25.0 114.165 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -130.87 155.93 45.91 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 117.66 0.73 . . . . 25.0 111.321 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.18 125.04 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -113.07 169.93 8.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -62.01 -28.03 69.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.818 -0.551 . . . . 25.0 112.451 -175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.98 -39.05 87.08 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.634 -0.666 . . . . 25.0 110.725 174.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -72.22 -36.81 69.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.02 87.99 Favored Glycine 0 C--O 1.221 -0.659 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.248 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.6 m -63.81 -43.97 94.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.13 -41.01 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.163 -0.336 . . . . 25.0 110.42 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.4 mmt -60.91 -41.11 95.47 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.838 -0.539 . . . . 25.0 111.754 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -67.49 -32.42 73.23 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.95 -0.469 . . . . 25.0 110.973 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -67.37 -31.02 70.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.867 0.365 . . . . 25.0 110.033 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.49 5.65 19.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.176 -0.465 . . . . 25.0 111.153 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.33 90.2 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 114.138 0.415 . . . . 25.0 114.138 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -86.73 149.68 24.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.267 0.534 . . . . 25.0 110.869 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -123.45 54.33 6.9 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.89 163.57 38.0 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 117.824 -0.984 . . . . 25.0 113.501 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -81.65 165.14 21.3 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.422 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.11 -27.97 66.06 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.164 -0.96 . . . . 25.0 112.807 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.65 69.59 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.546 0.689 . . . . 25.0 109.147 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.42 -40.08 89.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.019 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.7 mt -67.71 -23.5 65.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.548 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -79.44 -40.5 29.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.168 -0.444 . . . . 25.0 111.707 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -69.92 -26.07 63.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.932 0.787 . . . . 25.0 111.837 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.1 mtt -60.24 -32.4 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.999 0.428 . . . . 25.0 110.381 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mt -83.63 -44.14 18.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 CA-C-O 119.126 -0.464 . . . . 25.0 110.12 177.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.36 -32.42 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 118.2 0.454 . . . . 25.0 112.157 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.66 -17.17 59.99 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.18 -34.51 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.738 0.78 . . . . 25.0 109.602 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.12 59.04 2.62 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.098 1.359 . . . . 25.0 112.416 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.49 61.32 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.319 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.23 -17.42 46.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.623 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 5.89 89.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 117.598 1.799 . . . . 25.0 117.598 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -3.67 58.53 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.32 1.56 . . . . 25.0 114.724 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.34 2.56 90.62 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.204 2.041 . . . . 25.0 118.204 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -137.29 146.51 44.76 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.123 0.961 . . . . 25.0 111.326 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.5 123.16 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -105.47 -178.2 3.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.75 -47.32 97.72 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 115.953 1.835 . . . . 25.0 115.953 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -66.82 -27.34 44.06 Favored 'Trans proline' 0 C--N 1.356 0.925 1 C-N-CA 113.179 -4.081 . . . . 25.0 114.785 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -75.93 -27.27 57.53 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.17 -0.957 . . . . 25.0 110.816 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.84 -37.82 85.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -40.36 96.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 25.0 109.805 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.3 m -65.97 -38.65 89.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.5 . . . . 25.0 110.825 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.7 ttp -61.87 -32.85 73.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.992 0.517 . . . . 25.0 110.98 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mmt -83.79 -33.17 25.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.04 176.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.67 -28.1 69.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.943 -0.473 . . . . 25.0 111.806 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -82.54 -3.01 55.29 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.275 -0.891 . . . . 25.0 112.213 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -108.56 0.04 20.59 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.0 ptm -85.02 -0.04 53.09 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.249 0.547 . . . . 25.0 110.222 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -84.54 157.72 21.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.686 -0.688 . . . . 25.0 109.179 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 60.16 -154.92 0.36 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 171.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -158.52 -177.56 6.63 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 104.66 -2.348 . . . . 25.0 104.66 -169.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 65.94 22.63 11.3 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.612 1.165 . . . . 25.0 112.929 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.3 p -74.99 158.28 33.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -57.27 -39.12 75.03 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 122.027 -0.42 . . . . 25.0 111.808 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.76 -35.23 79.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.716 0.293 . . . . 25.0 110.484 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.5 -39.57 74.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.874 -0.517 . . . . 25.0 109.892 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.56 -37.7 80.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.39 -44.09 95.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.909 -0.495 . . . . 25.0 110.152 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.639 -0.424 . . . . 25.0 111.507 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.05 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.816 0.341 . . . . 25.0 110.329 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.78 -40.46 97.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 25.0 110.113 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.51 -18.48 65.06 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.55 -35.66 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -92.97 -44.42 8.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -82.82 82.97 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 25.0 110.673 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -68.79 -24.14 64.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.115 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -73.41 -26.89 61.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.209 0.528 . . . . 25.0 110.215 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 21.83 77.68 Favored Glycine 0 C--O 1.223 -0.579 0 N-CA-C 111.64 -0.584 . . . . 25.0 111.64 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -93.53 2.71 56.33 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.224 1.194 . . . . 25.0 114.224 -173.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 8.26 64.08 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 114.48 0.552 . . . . 25.0 114.48 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.91 137.98 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.253 -0.277 . . . . 25.0 110.253 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.22 116.72 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.708 -1.59 . . . . 25.0 106.708 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -88.4 165.27 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.89 80.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.993 0.425 . . . . 25.0 110.33 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.71 98.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 25.0 110.892 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.91 -43.36 83.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.716 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.95 -42.79 99.92 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.466 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -62.86 -46.92 85.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 176.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.42 -39.47 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 122.307 -0.245 . . . . 25.0 110.61 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -38.89 89.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.601 0.715 . . . . 25.0 111.475 176.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 m -66.88 -35.59 80.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.19 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -70.28 -29.41 66.16 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.094 -0.379 . . . . 25.0 110.989 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.65 -19.97 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.09 0.471 . . . . 25.0 110.009 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.47 6.04 61.39 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-N 116.168 -0.469 . . . . 25.0 112.169 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -69.8 148.91 48.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.117 0.484 . . . . 25.0 109.904 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -120.07 36.29 4.58 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.922 0.868 . . . . 25.0 110.93 -172.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.56 163.24 27.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 113.907 -1.497 . . . . 25.0 108.051 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 120' ' ' GLU . 50.5 p -91.65 171.88 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -66.41 -33.57 76.0 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.148 0.579 . . . . 25.0 111.447 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 117' ' ' THR . 2.0 mm-40 -65.24 -36.66 84.83 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.567 0.698 . . . . 25.0 109.519 178.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.37 -38.36 40.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.99 -39.97 94.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.495 0.664 . . . . 25.0 110.325 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 110.573 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.9 mtm -64.08 -31.99 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.096 -0.378 . . . . 25.0 111.757 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.09 -40.25 78.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.76 -35.73 73.23 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.72 -18.66 62.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.03 -22.62 13.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.852 0.358 . . . . 25.0 111.811 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -83.28 79.31 9.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.075 0.94 . . . . 25.0 112.049 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.42 -40.76 89.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.996 -1.002 . . . . 25.0 110.953 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -81.82 -14.79 55.86 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.67 18.12 71.38 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 117.651 1.82 . . . . 25.0 117.651 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.09 -1.14 56.52 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.188 1.494 . . . . 25.0 114.291 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.19 6.26 71.68 Favored Glycine 0 N--CA 1.461 0.336 0 C-N-CA 121.416 -0.421 . . . . 25.0 113.69 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.65 167.14 22.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.416 0.627 . . . . 25.0 110.26 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.21 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.283 -1.377 . . . . 25.0 107.283 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.95 170.56 16.49 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.64 -43.24 97.8 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.145 0.794 . . . . 25.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.44 -35.49 81.08 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.515 -0.74 . . . . 25.0 111.311 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.23 -30.01 66.97 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.76 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -66.53 -36.41 82.61 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.4 t -66.41 -40.67 87.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -62.67 -41.81 99.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.76 0.314 . . . . 25.0 110.508 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.46 -37.75 88.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 25.0 110.5 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.1 ttm -69.06 -41.4 77.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.145 0.424 . . . . 25.0 112.145 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.8 t -83.26 -10.19 58.69 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.397 0.888 . . . . 25.0 113.397 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -147.79 57.06 1.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.685 0.624 . . . . 25.0 112.685 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 75.2 tttt . . . . . 0 C--O 1.253 1.274 0 CA-C-O 116.408 -1.758 . . . . 25.0 108.75 174.284 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 118.97 -0.538 . . . . 25.0 109.85 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 54.59 39.16 31.0 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.627 1.204 . . . . 25.0 114.188 170.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -103.79 158.29 16.49 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.6 157.19 30.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.3 p -60.38 143.32 53.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.47 -25.04 65.74 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.428 0.899 . . . . 25.0 113.428 -175.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.63 -41.41 96.18 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.302 -0.248 . . . . 25.0 110.628 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -67.11 -40.49 86.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.336 0.589 . . . . 25.0 110.088 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.33 -38.66 81.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.33 82.23 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 122.138 -0.351 . . . . 25.0 110.463 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.99 -48.49 79.85 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 122.078 0.942 . . . . 25.0 109.971 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.87 -30.56 69.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.047 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -69.1 -36.46 77.57 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 118.118 0.417 . . . . 25.0 110.301 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -68.72 -43.33 76.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.82 81.76 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.859 0.362 . . . . 25.0 110.519 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -69.53 -43.02 73.89 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -64.66 -31.11 72.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 25.0 111.256 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.21 -36.45 83.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.6 0.715 . . . . 25.0 109.118 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.92 -35.78 21.89 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.593 -0.73 . . . . 25.0 112.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.99 86.85 4.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.936 0.874 . . . . 25.0 110.426 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -69.0 -27.6 65.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -100.3 -11.13 20.58 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.49 12.59 83.6 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 117.073 1.589 . . . . 25.0 117.073 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -81.7 -0.87 44.75 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.652 1.352 . . . . 25.0 114.652 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 5.23 70.37 Favored Glycine 0 CA--C 1.517 0.176 0 N-CA-C 114.664 0.626 . . . . 25.0 114.664 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 p -133.03 159.18 40.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.327 0.584 . . . . 25.0 111.835 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.7 mm -109.5 130.28 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.281 -1.748 . . . . 25.0 106.281 173.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -111.44 166.11 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 p -60.44 -35.07 74.96 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.35 -44.32 92.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.825 0.821 . . . . 25.0 110.456 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.62 -36.82 70.88 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.275 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -42.0 97.81 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.67 93.63 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-N 115.826 -0.624 . . . . 25.0 111.841 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.4 m -61.16 -45.69 93.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.123 0.462 . . . . 25.0 109.975 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.95 -42.84 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.2 mmm -61.95 -39.37 91.87 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.76 -0.588 . . . . 25.0 111.405 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -72.03 -26.12 62.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.886 -0.509 . . . . 25.0 111.859 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -71.42 -29.04 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.73 -10.45 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.575 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 9.26 64.27 Favored Glycine 0 C--O 1.235 0.214 0 CA-C-N 116.352 -0.385 . . . . 25.0 113.769 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -76.52 165.14 25.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.36 0.58 . . . . 25.0 111.387 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -123.52 58.02 12.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 115.826 -0.624 . . . . 25.0 112.283 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.28 162.31 36.6 Favored 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 115.677 -2.415 . . . . 25.0 113.504 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.3 p -89.13 156.75 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.538 -2.023 . . . . 25.0 105.538 172.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.18 -20.01 63.15 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.475 -0.89 . . . . 25.0 110.081 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.0 80.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.032 -0.359 . . . . 25.0 110.032 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.35 -39.9 81.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.105 0.955 . . . . 25.0 109.097 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.62 -31.53 72.28 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.642 -0.662 . . . . 25.0 109.801 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -69.22 -44.15 72.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 118.904 -0.569 . . . . 25.0 110.702 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.82 -31.9 72.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.426 1.012 . . . . 25.0 110.187 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mtp -65.02 -27.92 69.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -43.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.212 -0.292 . . . . 25.0 110.212 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.49 -26.57 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.279 0.632 . . . . 25.0 110.523 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.36 -29.5 34.71 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.965 0.728 . . . . 25.0 112.965 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 t -120.81 -30.29 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 112.065 0.394 . . . . 25.0 112.065 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -77.7 59.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.766 0.826 . . . . 25.0 113.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.16 66.57 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.052 -0.405 . . . . 25.0 111.218 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -78.35 -17.54 56.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.837 0.455 . . . . 25.0 111.137 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.56 78.87 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -4.38 53.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.789 1.295 . . . . 25.0 112.594 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.6 1.15 81.07 Favored Glycine 0 C--O 1.236 0.263 0 N-CA-C 115.581 0.992 . . . . 25.0 115.581 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -133.8 160.35 37.87 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 117.839 0.82 . . . . 25.0 112.946 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.5 mt -109.28 104.48 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 172.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.22 170.28 16.89 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -50.81 -49.22 80.97 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 115.669 1.729 . . . . 25.0 115.669 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.82 -23.04 26.42 Favored 'Trans proline' 0 C--N 1.355 0.871 1 C-N-CA 112.731 -4.379 . . . . 25.0 113.636 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -74.99 -28.69 60.64 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -70.87 -36.28 72.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.35 -39.37 93.75 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.37 -40.69 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.158 0.504 . . . . 25.0 110.577 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 ttt -58.93 -39.52 81.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.185 0.517 . . . . 25.0 110.216 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.2 mmt -77.69 -33.47 53.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.32 70.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.019 0.437 . . . . 25.0 111.058 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -63.3 -26.58 68.83 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.514 -0.741 . . . . 25.0 111.385 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -89.87 -14.1 35.03 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.119 -0.326 . . . . 25.0 110.119 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtt -93.08 20.89 6.31 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.4 137.72 58.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 105.179 -2.156 . . . . 25.0 105.179 173.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.5 t0 77.58 72.56 0.06 Allowed 'General case' 0 N--CA 1.48 1.056 0 O-C-N 125.686 1.866 . . . . 25.0 109.581 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.6 t -159.85 176.8 11.49 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 102.896 -3.001 . . . . 25.0 102.896 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -54.9 127.59 29.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.402 0.62 . . . . 25.0 111.597 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.6 p -156.82 -166.45 2.1 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.748 0.785 . . . . 25.0 111.891 -172.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.92 -15.71 63.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.369 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.01 -44.46 92.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.987 -0.445 . . . . 25.0 111.398 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -68.46 -32.4 72.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.287 0.565 . . . . 25.0 110.879 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.81 -37.43 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -65.76 -41.16 92.44 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.975 -0.453 . . . . 25.0 110.376 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.3 -48.06 79.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.145 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.05 79.33 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.17 0.509 . . . . 25.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -62.46 -45.71 91.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.36 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -72.25 -15.59 61.92 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 113.699 1.0 . . . . 25.0 113.699 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.64 -41.57 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.08 -45.73 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 25.0 110.455 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -85.82 58.34 4.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.076 0.941 . . . . 25.0 109.379 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.27 -24.49 67.89 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.838 1.422 . . . . 25.0 114.838 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -94.21 4.02 54.46 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.193 -0.317 . . . . 25.0 111.824 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.2 27.03 72.51 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 118.243 2.057 . . . . 25.0 118.243 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -65.65 -27.0 68.05 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.264 1.532 . . . . 25.0 112.679 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.81 5.0 64.87 Favored Glycine 0 C--N 1.32 -0.317 0 N-CA-C 109.018 -1.633 . . . . 25.0 109.018 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -144.99 145.76 31.65 Favored 'General case' 0 C--O 1.251 1.166 0 C-N-CA 123.67 0.788 . . . . 25.0 111.868 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.5 mt -106.93 118.8 55.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 N-CA-C 106.04 -1.837 . . . . 25.0 106.04 170.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -91.24 163.68 14.16 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.87 83.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 25.0 110.176 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.96 94.53 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.253 0.549 . . . . 25.0 110.938 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -73.07 -40.2 65.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.414 -0.357 . . . . 25.0 110.2 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.87 -44.56 96.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.04 -34.02 75.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -62.83 -45.76 91.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.36 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.702 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.8 mtt -58.02 -42.61 85.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 25.0 111.61 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -62.11 -36.37 81.53 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.001 -0.437 . . . . 25.0 110.529 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -73.3 -26.54 61.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.729 0.299 . . . . 25.0 110.91 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.95 -17.41 59.75 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.024 0.44 . . . . 25.0 110.129 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.91 -2.74 55.58 Favored Glycine 0 C--O 1.238 0.396 0 CA-C-N 115.972 -0.558 . . . . 25.0 112.049 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.66 157.73 34.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -139.28 56.92 1.66 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.149 0.426 . . . . 25.0 112.149 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.94 159.25 34.56 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.1 p -89.39 168.58 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -64.21 -35.21 80.05 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.56 -35.13 76.98 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 112.435 0.532 . . . . 25.0 112.435 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.83 -40.59 83.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.29 -40.51 82.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.41 -43.85 96.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.783 0.325 . . . . 25.0 110.618 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -62.77 -43.96 97.44 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.048 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.2 mtp -64.45 -33.61 76.29 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.02 -40.04 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.656 -0.498 . . . . 25.0 109.656 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -58.46 -35.09 71.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.74 -19.68 65.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.646 0.26 . . . . 25.0 111.436 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.11 -19.88 13.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.86 0.362 . . . . 25.0 111.544 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -82.92 82.22 8.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.05 -43.88 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.06 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -87.62 -6.11 58.43 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.155 1.168 . . . . 25.0 114.155 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.17 78.97 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.909 1.124 . . . . 25.0 115.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.01 -0.59 55.9 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.566 1.321 . . . . 25.0 114.566 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 7.92 84.86 Favored Glycine 0 C--O 1.239 0.411 0 O-C-N 121.867 -0.521 . . . . 25.0 113.81 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -134.97 167.11 21.53 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.256 0.551 . . . . 25.0 110.204 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.11 116.96 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.76 167.07 21.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -60.14 -45.47 92.92 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 119.531 -0.868 . . . . 25.0 112.032 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -62.93 -38.68 91.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.529 0.681 . . . . 25.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -33.87 76.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.156 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -70.21 -36.1 74.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.129 -0.357 . . . . 25.0 110.378 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.99 -42.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -61.75 -45.6 93.23 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.09 -20.76 66.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.459 0.647 . . . . 25.0 111.572 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.2 ttm -83.19 -36.02 25.0 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.26 -0.9 . . . . 25.0 111.786 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 10.7 t -95.37 -17.15 21.82 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -135.7 150.79 49.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.645 0.26 . . . . 25.0 110.357 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.7 mptt . . . . . 0 C--O 1.258 1.549 0 N-CA-C 101.442 -3.54 . . . . 25.0 101.442 179.401 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 158.24 36.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.09 -2.189 . . . . 25.0 105.09 169.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -121.69 172.3 8.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.663 0.602 . . . . 25.0 109.734 -175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.23 126.49 28.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.011 0.91 . . . . 25.0 109.969 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -78.24 -25.4 46.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.849 -0.614 . . . . 25.0 109.386 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -62.35 -34.6 76.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.437 -0.347 . . . . 25.0 111.863 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -65.93 -45.61 81.21 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.024 -0.27 . . . . 25.0 110.57 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.5 -38.39 89.72 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 122.007 -0.433 . . . . 25.0 111.443 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.42 -41.54 92.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.05 90.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.356 0.525 . . . . 25.0 111.215 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.06 -59.2 5.65 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.671 1.224 . . . . 25.0 110.813 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -75.48 -15.57 60.4 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.95 -1.023 . . . . 25.0 112.555 -172.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -65.79 -41.85 91.47 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.658 0.663 . . . . 25.0 109.892 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.33 -39.6 74.65 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.827 -0.749 . . . . 25.0 109.084 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.76 81.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.64 -44.8 89.31 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -64.05 -27.14 68.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 25.0 111.206 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.88 -32.03 63.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.628 -0.26 . . . . 25.0 110.819 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.49 -30.28 23.58 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.852 0.358 . . . . 25.0 111.325 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -83.6 92.36 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.676 0.75 . . . . 25.0 109.6 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -76.37 -24.52 54.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 -170.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -108.09 -10.64 15.42 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.04 22.54 65.54 Favored Glycine 0 C--O 1.225 -0.456 0 N-CA-C 115.746 1.058 . . . . 25.0 115.746 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.85 -7.82 59.63 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.72 1.007 . . . . 25.0 113.72 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.37 1.59 57.93 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 114.729 0.652 . . . . 25.0 114.729 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -131.95 161.05 34.05 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.946 0.873 . . . . 25.0 112.131 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mm -116.72 120.16 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 105.281 -2.118 . . . . 25.0 105.281 173.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -101.11 165.75 11.15 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -34.1 61.47 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.825 -0.547 . . . . 25.0 111.766 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -64.29 -39.4 93.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.01 -0.431 . . . . 25.0 111.368 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.48 -43.83 54.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.13 -44.63 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 25.0 110.641 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.2 83.38 Favored Glycine 0 C--O 1.225 -0.459 0 CA-C-N 115.683 -0.69 . . . . 25.0 112.861 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.9 m -66.68 -46.65 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.663 0.731 . . . . 25.0 109.826 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.81 -36.78 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.937 0.398 . . . . 25.0 110.152 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -66.51 -31.06 71.55 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.27 -0.894 . . . . 25.0 112.083 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -73.91 -23.53 59.57 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.167 -0.958 . . . . 25.0 111.111 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -21.7 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.789 0.328 . . . . 25.0 110.639 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -91.28 10.25 28.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.814 173.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.73 7.79 83.8 Favored Glycine 0 CA--C 1.517 0.163 0 N-CA-C 114.546 0.578 . . . . 25.0 114.546 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.76 143.11 30.2 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.272 -0.546 . . . . 25.0 110.095 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -124.79 52.91 6.65 Favored Pre-proline 0 CA--C 1.551 1.012 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.22 164.52 31.0 Favored 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 116.128 -2.115 . . . . 25.0 113.251 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.4 p -76.52 164.71 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.33 -22.87 62.76 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.048 -0.407 . . . . 25.0 110.925 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -42.9 71.69 Favored 'General case' 0 C--O 1.208 -1.117 0 N-CA-C 109.913 -0.402 . . . . 25.0 109.913 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.34 -39.82 94.66 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.41 -33.5 75.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.103 -0.373 . . . . 25.0 110.766 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.61 -42.89 70.35 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 110.303 -0.258 . . . . 25.0 110.303 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.19 -35.91 76.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 25.0 110.41 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.0 mtt -67.28 -25.77 66.21 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -80.92 -47.08 20.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.87 -32.86 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 120.798 0.332 . . . . 25.0 110.392 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.02 -21.6 59.32 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.972 1.471 . . . . 25.0 114.972 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.55 -13.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.511 1.3 . . . . 25.0 114.511 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -77.73 65.51 3.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 25.0 112.954 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -24.34 67.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -89.47 -7.17 55.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.22 73.79 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 116.444 1.337 . . . . 25.0 116.444 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -2.13 50.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.632 1.216 . . . . 25.0 113.669 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.44 -1.6 86.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 115.579 0.992 . . . . 25.0 115.579 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.3 p -133.91 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.073 0.936 . . . . 25.0 111.048 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.8 mt -84.91 121.48 36.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.11 -1.811 . . . . 25.0 106.11 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 178.97 4.41 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.57 -55.54 22.07 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -171.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.24 -26.08 30.38 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 113.513 -3.858 . . . . 25.0 114.62 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.43 -33.24 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.956 -0.465 . . . . 25.0 109.924 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.7 -42.35 77.87 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.97 -42.64 94.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -64.35 -41.71 96.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.828 -0.169 . . . . 25.0 111.401 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.0 ttm -63.0 -42.05 99.75 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.825 -0.547 . . . . 25.0 111.582 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.5 mmt -77.19 -37.41 53.63 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.363 -0.535 . . . . 25.0 109.92 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.12 91.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.961 -0.462 . . . . 25.0 110.393 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -72.36 4.38 3.8 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.638 -1.289 . . . . 25.0 113.661 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -118.29 -18.51 9.24 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.5 mtt -125.54 12.22 8.03 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -171.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -81.16 62.5 5.13 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -105.47 159.18 16.13 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 t -78.27 -5.0 50.67 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 121.077 0.465 . . . . 25.0 111.247 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -129.72 95.91 4.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 103.6 -2.741 . . . . 25.0 103.6 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.0 p -154.96 159.43 40.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 -171.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.26 -19.25 63.13 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -68.78 -29.37 67.73 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.435 -0.791 . . . . 25.0 111.15 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.39 -40.24 81.41 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.872 0.844 . . . . 25.0 109.044 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.0 mt -66.16 -40.23 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.452 -0.795 . . . . 25.0 108.896 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -65.31 -42.37 93.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.197 -0.314 . . . . 25.0 111.706 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.43 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.95 86.24 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.88 -45.26 93.39 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.271 -0.268 . . . . 25.0 110.529 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -70.07 -22.64 63.04 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.57 -38.09 81.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -87.98 -39.31 14.8 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.576 -0.45 . . . . 25.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -81.66 76.44 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.009 0.909 . . . . 25.0 110.339 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -66.24 -23.72 66.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.214 -0.903 . . . . 25.0 112.138 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -75.72 -24.6 56.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.406 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.14 13.12 79.61 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.24 2.17 52.89 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.469 1.655 . . . . 25.0 115.469 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 4.19 68.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 116.238 1.255 . . . . 25.0 116.238 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.56 143.64 35.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 mt -110.62 111.07 34.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.6 p -82.93 161.58 21.78 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.508 -0.745 . . . . 25.0 109.888 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.22 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.891 0.377 . . . . 25.0 111.067 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.56 83.28 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.341 0.591 . . . . 25.0 110.914 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -69.87 -41.91 74.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.081 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -45.98 89.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -58.38 -37.86 76.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.354 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -62.67 -45.6 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.126 0.489 . . . . 25.0 110.456 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.99 -47.0 92.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.08 -39.3 81.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.5 m -63.06 -42.16 99.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -71.89 -24.95 61.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.739 0.304 . . . . 25.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.6 mt -76.85 -19.66 57.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.022 0.529 . . . . 25.0 110.546 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.48 24.42 31.04 Favored Glycine 0 C--O 1.242 0.617 0 C-N-CA 121.287 -0.482 . . . . 25.0 113.239 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.89 163.98 18.41 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.685 0.755 . . . . 25.0 112.632 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -129.45 57.53 1.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.75 -173.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.85 162.48 22.09 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 105.634 -1.987 . . . . 25.0 105.634 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.6 p -93.44 167.93 11.39 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.23 -32.94 74.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.21 -32.19 69.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.539 -0.755 . . . . 25.0 111.403 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.35 -35.31 73.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.07 -38.21 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.98 -48.24 82.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.03 -37.83 83.95 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.591 -0.693 . . . . 25.0 112.102 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.92 -32.32 73.59 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.976 -0.452 . . . . 25.0 111.966 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -75.96 -41.17 38.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.131 -0.322 . . . . 25.0 110.131 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.84 -35.49 70.98 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 -174.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.8 -25.21 64.58 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.624 0.249 . . . . 25.0 111.517 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.13 -17.11 14.25 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -82.73 82.1 8.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.75 0.786 . . . . 25.0 111.979 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.17 -40.54 87.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.826 -177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -86.18 -14.68 43.31 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.16 17.92 77.36 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 116.274 1.27 . . . . 25.0 116.274 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -83.27 -0.65 50.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.05 10.75 77.81 Favored Glycine 0 C--O 1.247 0.923 0 C-N-CA 120.969 -0.634 . . . . 25.0 113.052 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -135.84 162.36 33.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.69 0.757 . . . . 25.0 110.261 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.05 118.1 49.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -79.11 171.12 15.64 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 105.469 -2.049 . . . . 25.0 105.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.14 -43.45 95.71 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.805 -0.758 . . . . 25.0 111.929 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.22 -40.91 97.02 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.527 0.679 . . . . 25.0 111.774 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -66.29 -32.65 74.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 25.0 109.883 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -67.7 -34.94 77.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.166 -0.334 . . . . 25.0 110.81 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.22 -40.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -62.8 -43.36 99.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.347 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.4 ttt -66.01 -19.07 65.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 tpp -81.68 -28.25 33.61 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.836 -0.54 . . . . 25.0 110.913 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t -107.09 -7.96 16.69 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -146.07 165.29 29.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt . . . . . 0 CA--C 1.505 -0.788 0 N-CA-C 107.462 -1.31 . . . . 25.0 107.462 176.756 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -63.88 144.93 56.67 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 104.594 -2.373 . . . . 25.0 104.594 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -56.22 127.9 33.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.581 1.181 . . . . 25.0 113.51 -170.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.1 tp -143.14 -179.52 6.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 104.66 -2.348 . . . . 25.0 104.66 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -56.5 -45.05 81.24 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.43 -26.17 62.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.894 -0.503 . . . . 25.0 112.168 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -71.8 -37.98 70.33 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.38 -38.45 87.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.094 0.473 . . . . 25.0 110.371 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.14 -37.24 76.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.53 -35.89 78.09 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.906 -0.496 . . . . 25.0 111.103 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -64.35 -40.76 96.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.305 0.574 . . . . 25.0 109.744 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -69.45 -26.97 64.85 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.49 -0.756 . . . . 25.0 111.309 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -66.12 -37.3 85.39 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.925 -0.398 . . . . 25.0 109.925 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -40.78 90.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.12 80.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.84 0.352 . . . . 25.0 110.86 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -67.92 -42.94 80.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 25.0 110.04 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -66.96 -19.78 65.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.168 0.509 . . . . 25.0 111.012 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.92 -23.38 62.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.308 -0.406 . . . . 25.0 110.455 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.23 -42.31 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 122.296 0.239 . . . . 25.0 111.417 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -74.66 96.82 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.83 0.824 . . . . 25.0 111.454 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -80.0 -24.46 40.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.54 -0.755 . . . . 25.0 111.627 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -76.01 -27.93 57.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 25.0 110.939 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.32 27.59 61.44 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.203 -0.523 . . . . 25.0 112.122 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -107.67 -1.13 21.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.804 1.039 . . . . 25.0 113.804 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 9.94 65.13 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 115.167 0.827 . . . . 25.0 115.167 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -131.43 156.65 45.24 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.712 0.756 . . . . 25.0 112.118 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mt -119.58 120.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -111.6 169.67 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -56.67 -33.57 66.52 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.665 0.666 . . . . 25.0 112.644 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -58.29 -43.78 88.17 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.773 0.797 . . . . 25.0 110.629 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.12 -41.06 43.51 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.91 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.51 -46.14 91.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 25.0 109.343 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.72 -32.63 84.84 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 116.168 -0.469 . . . . 25.0 112.691 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.6 m -64.44 -39.88 94.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.124 0.462 . . . . 25.0 109.864 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.68 -43.03 62.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 121.954 -0.466 . . . . 25.0 110.358 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.35 -44.37 95.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.926 -0.484 . . . . 25.0 112.122 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -71.26 -20.37 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.403 -0.811 . . . . 25.0 112.223 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -76.72 -21.76 54.85 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.881 -0.512 . . . . 25.0 109.7 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.48 -5.96 59.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 174.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.13 6.66 68.83 Favored Glycine 0 C--O 1.226 -0.353 0 CA-C-N 116.09 -0.504 . . . . 25.0 113.428 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -77.11 150.89 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -116.57 59.55 2.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 122.953 0.501 . . . . 25.0 111.904 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.01 158.48 45.84 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 116.199 -2.068 . . . . 25.0 113.676 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.9 p -83.48 162.68 20.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -67.37 -31.13 71.16 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.394 -0.816 . . . . 25.0 110.741 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.76 76.22 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.91 -41.53 91.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.426 0.631 . . . . 25.0 109.624 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.57 -37.11 82.17 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.201 -0.454 . . . . 25.0 111.407 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.63 -41.37 65.57 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.651 -0.25 . . . . 25.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.92 -33.24 74.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.03 -24.79 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.047 0.451 . . . . 25.0 111.164 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -83.7 -45.48 18.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.3 mt -56.52 -38.27 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.364 0.266 . . . . 25.0 111.084 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' CD ' HH12 ' A' ' 74' ' ' ARG . 1.6 mm-40 -58.27 -19.22 32.54 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 178.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.8 -3.97 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 113.796 1.035 . . . . 25.0 113.796 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.78 56.64 2.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.504 0.721 . . . . 25.0 112.486 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.22 -16.45 60.22 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.64 -0.26 40.62 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.143 0.423 . . . . 25.0 112.143 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 16.56 67.53 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.973 1.549 . . . . 25.0 116.973 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -84.31 3.62 34.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.19 7.44 88.45 Favored Glycine 0 C--O 1.24 0.492 0 N-CA-C 115.489 0.955 . . . . 25.0 115.489 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.1 p -141.55 162.93 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.146 0.473 . . . . 25.0 111.388 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.1 mt -93.12 113.92 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 172.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.13 172.18 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.09 -46.03 99.74 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 116.347 1.98 . . . . 25.0 116.347 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.91 -21.33 24.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.415 -3.924 . . . . 25.0 113.686 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -77.45 -31.06 53.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.793 -0.818 . . . . 25.0 108.793 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -65.8 -35.67 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 173.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.79 -36.11 77.86 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.787 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.85 -40.76 92.03 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.952 -0.468 . . . . 25.0 109.919 174.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 ttp -62.21 -37.78 86.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.47 0.652 . . . . 25.0 109.964 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.6 tpt -66.34 -34.27 77.61 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.854 -0.529 . . . . 25.0 111.008 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.51 86.92 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.724 -0.61 . . . . 25.0 109.901 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.441 HH12 ' CD ' ' A' ' 54' ' ' GLU . 96.1 mtt180 -70.29 -10.54 59.27 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.654 0.74 . . . . 25.0 112.382 176.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -80.86 -6.78 59.06 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.29 -0.881 . . . . 25.0 109.639 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.0 mtp -112.23 -14.37 13.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -166.68 163.95 16.73 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 105.314 -2.106 . . . . 25.0 105.314 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 60.56 -163.53 0.25 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.163 0.915 . . . . 25.0 109.511 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -163.71 172.11 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -77.76 106.68 9.74 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.783 -2.303 . . . . 25.0 104.783 171.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.0 p -94.57 -16.59 23.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.823 1.046 . . . . 25.0 113.823 -167.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.96 -28.5 67.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -173.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -61.72 -41.13 97.21 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.586 -0.696 . . . . 25.0 111.244 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -69.36 -35.55 75.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.634 -0.666 . . . . 25.0 109.61 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.71 -37.9 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -65.81 -40.48 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.0 -0.438 . . . . 25.0 110.932 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -66.85 -37.25 84.11 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.667 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.27 86.98 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.976 -0.452 . . . . 25.0 110.584 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.88 -43.27 98.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.09 -17.61 64.61 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.34 -37.39 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.38 -38.63 13.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.1 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 54.42 2.74 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.438 1.113 . . . . 25.0 108.633 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -69.03 -8.93 49.66 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -91.91 -8.13 47.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.595 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.53 16.79 79.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 117.967 1.947 . . . . 25.0 117.967 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -89.37 1.39 55.87 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.38 1.622 . . . . 25.0 115.38 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.64 3.27 66.63 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.533 0.973 . . . . 25.0 115.533 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -139.06 141.19 38.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.152 0.476 . . . . 25.0 110.684 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -98.08 105.13 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.1 p -79.56 161.59 25.87 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.687 -0.633 . . . . 25.0 109.565 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -35.54 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.635 0.731 . . . . 25.0 109.569 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.48 87.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.267 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.14 -43.0 65.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.362 -0.211 . . . . 25.0 110.887 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -47.68 83.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.468 -0.493 . . . . 25.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.745 -0.597 . . . . 25.0 111.704 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -43.24 78.28 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 174.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.44 -44.33 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.2 mmt -60.4 -41.31 93.62 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.14 -38.25 90.45 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.968 -0.457 . . . . 25.0 110.574 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.12 -26.15 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.296 . . . . 25.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.42 -20.39 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.701 0.401 . . . . 25.0 110.498 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.28 2.82 57.82 Favored Glycine 0 C--O 1.239 0.435 0 CA-C-N 116.077 -0.511 . . . . 25.0 112.389 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.58 150.8 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.231 0.539 . . . . 25.0 110.144 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -127.69 48.57 2.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.966 -0.561 . . . . 25.0 112.429 -172.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.32 156.36 39.6 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 174.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -85.59 163.22 18.48 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -64.39 -30.21 71.26 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.13 -37.28 83.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.603 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -65.79 -38.22 88.41 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.258 0.552 . . . . 25.0 109.7 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.46 -38.56 74.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.004 0.431 . . . . 25.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.12 -43.1 95.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.076 0.465 . . . . 25.0 110.521 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 mtt -67.95 -34.48 76.66 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.44 -43.55 48.97 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.0 mtm105 -63.84 -29.78 70.94 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 115.75 1.759 . . . . 25.0 115.75 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.17 -24.19 62.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.536 0.607 . . . . 25.0 110.606 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.01 -20.7 17.24 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.694 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -83.54 76.4 9.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.812 0.815 . . . . 25.0 111.509 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.39 -40.81 89.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.377 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -82.47 -13.13 57.22 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.98 79.86 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 117.65 1.82 . . . . 25.0 117.65 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.71 -0.91 52.8 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.768 1.396 . . . . 25.0 114.768 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.2 8.49 74.98 Favored Glycine 0 C--O 1.247 0.966 0 C-N-CA 121.504 -0.379 . . . . 25.0 113.741 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.92 164.98 27.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.21 0.528 . . . . 25.0 109.816 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.6 t -102.1 116.27 45.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.13 173.35 12.68 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.22 -44.51 97.15 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.622 -0.674 . . . . 25.0 112.736 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.3 -42.84 99.7 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.334 1.064 . . . . 25.0 110.904 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.31 -30.02 70.83 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.688 -1.142 . . . . 25.0 111.487 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -68.33 -34.92 76.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.816 -0.553 . . . . 25.0 110.657 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 83.1 t -68.65 -39.06 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -61.47 -42.15 98.34 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 122.076 -0.39 . . . . 25.0 109.97 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.1 ttt -67.48 -19.32 65.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.567 0.699 . . . . 25.0 112.322 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.1 ttm -83.13 -28.94 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.905 -0.497 . . . . 25.0 111.154 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.1 t -95.71 -16.04 22.24 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.42 157.7 36.03 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 54.4 tttt . . . . . 0 C--O 1.239 0.539 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 172.407 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 120.575 0.226 . . . . 25.0 110.565 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -81.71 166.41 20.12 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 124.149 0.98 . . . . 25.0 110.606 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -93.84 139.38 30.94 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.402 0.62 . . . . 25.0 110.261 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.5 mp -84.27 147.07 27.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.506 -0.77 . . . . 25.0 111.896 -175.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.1 p -78.31 163.31 25.82 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.381 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.24 -33.04 71.72 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 121.375 0.607 . . . . 25.0 110.187 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.82 -43.36 93.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.105 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -67.73 -37.97 82.91 Favored 'General case' 0 C--O 1.21 -0.981 0 N-CA-C 110.184 -0.302 . . . . 25.0 110.184 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.26 -35.21 74.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -35.84 77.23 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.702 -0.623 . . . . 25.0 110.803 175.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.4 -48.93 65.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.502 1.144 . . . . 25.0 111.411 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -72.23 -21.94 61.32 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 114.695 1.369 . . . . 25.0 114.695 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -71.16 -22.74 62.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.067 0.849 . . . . 25.0 110.564 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -77.58 -44.71 27.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -33.83 74.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.755 0.312 . . . . 25.0 110.307 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -67.05 -42.73 84.31 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -65.12 -17.91 64.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.76 -25.26 53.23 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-O 121.987 0.898 . . . . 25.0 110.032 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -94.85 -42.75 8.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.047 -0.979 . . . . 25.0 111.998 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -74.33 104.78 5.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.516 0.674 . . . . 25.0 109.316 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -75.8 -19.29 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.998 1.111 . . . . 25.0 113.998 -172.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -115.08 -12.9 11.88 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.998 1.11 . . . . 25.0 113.998 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.53 12.73 82.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 117.604 1.801 . . . . 25.0 117.604 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.17 -8.05 56.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 2.9 52.36 Favored Glycine 0 C--O 1.229 -0.204 0 N-CA-C 114.782 0.673 . . . . 25.0 114.782 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -134.57 157.2 47.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.02 0.438 . . . . 25.0 110.074 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.7 mt -115.01 115.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 105.621 -1.992 . . . . 25.0 105.621 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -86.01 166.09 16.16 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -61.53 -30.88 70.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.875 -0.516 . . . . 25.0 109.86 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.07 -44.15 89.9 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.403 0.62 . . . . 25.0 110.692 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.6 -40.02 76.9 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.78 -45.69 93.4 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -33.55 87.54 Favored Glycine 0 C--O 1.222 -0.616 0 CA-C-N 115.948 -0.569 . . . . 25.0 112.998 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.2 m -68.17 -42.53 79.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.881 -0.776 . . . . 25.0 110.362 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.31 -41.13 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.6 mmt -56.81 -47.47 80.18 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.422 0.289 . . . . 25.0 110.572 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.43 -35.93 80.78 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -67.54 -26.54 66.37 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.385 0.612 . . . . 25.0 111.276 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.35 -1.32 57.83 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.838 0.855 . . . . 25.0 110.953 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.31 5.71 75.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.196 -0.526 . . . . 25.0 113.916 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -92.38 146.21 23.87 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -133.79 70.42 75.28 Favored Pre-proline 0 N--CA 1.479 0.981 0 O-C-N 121.859 -0.525 . . . . 25.0 111.474 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.76 168.3 24.9 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 120.511 0.808 . . . . 25.0 112.204 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -81.8 163.62 22.23 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.049 -1.463 . . . . 25.0 107.049 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -67.14 -28.11 67.87 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.187 -0.605 . . . . 25.0 110.646 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.16 78.41 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -65.21 -38.22 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 122.558 1.171 . . . . 25.0 109.239 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.79 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.524 -0.735 . . . . 25.0 109.404 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -67.88 -44.03 77.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.52 -0.752 . . . . 25.0 111.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.18 -32.27 72.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.578 1.081 . . . . 25.0 109.949 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.73 -24.88 63.62 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mm -77.25 -52.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.97 -27.83 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.41 0.684 . . . . 25.0 112.459 -174.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.1 -32.61 55.39 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 m -119.5 -12.02 10.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.6 49.07 0.98 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.928 0.891 . . . . 25.0 110.697 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.17 58.75 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.441 -0.787 . . . . 25.0 112.09 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -85.21 -6.36 59.28 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.523 -0.308 . . . . 25.0 111.021 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 19.96 71.22 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 116.109 1.204 . . . . 25.0 116.109 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.46 -3.69 59.0 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.692 1.367 . . . . 25.0 114.692 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.72 0.09 76.01 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 116.945 1.538 . . . . 25.0 116.945 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -142.93 151.87 41.43 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.426 1.113 . . . . 25.0 113.045 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.6 mt -81.93 111.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -87.73 172.43 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.147 -1.056 . . . . 25.0 108.147 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -54.25 -49.34 90.9 Favored Pre-proline 0 CA--C 1.565 1.552 0 N-CA-C 115.435 1.643 . . . . 25.0 115.435 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 -23.18 32.48 Favored 'Trans proline' 0 C--N 1.356 0.944 1 C-N-CA 112.801 -4.333 . . . . 25.0 114.311 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -75.51 -33.05 60.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.23 0.538 . . . . 25.0 110.214 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.85 -37.98 85.5 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.393 -0.817 . . . . 25.0 109.126 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.35 -40.51 96.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.305 -0.861 . . . . 25.0 109.295 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -65.87 -37.32 85.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.748 -0.595 . . . . 25.0 111.034 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.1 ttm -60.13 -42.96 95.9 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 mmt -67.73 -38.87 84.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.708 -0.224 . . . . 25.0 111.05 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.38 72.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -63.98 -14.99 58.21 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -112.32 -7.54 13.98 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 95.7 mmm -125.76 20.9 7.74 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.26 0.552 . . . . 25.0 110.978 -176.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 144.2 57.43 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 114.428 1.27 . . . . 25.0 114.428 -174.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -83.14 -44.54 14.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.274 -1.75 . . . . 25.0 106.274 167.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.4 m -152.13 149.92 29.32 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.47 176.42 10.62 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.0 p -87.44 -7.33 57.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 115.513 1.672 . . . . 25.0 115.513 -170.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.78 -34.61 69.77 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.184 0.516 . . . . 25.0 112.255 -175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -67.64 -30.63 70.24 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 121.663 -0.648 . . . . 25.0 112.133 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -73.13 -38.55 66.24 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.165 0.507 . . . . 25.0 109.684 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.24 -41.91 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -61.22 -41.33 96.66 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.58 -0.7 . . . . 25.0 112.484 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.77 -47.65 77.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.25 -0.58 . . . . 25.0 109.984 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.82 95.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.175 0.297 . . . . 25.0 111.536 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.5 -42.32 99.42 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.319 0.581 . . . . 25.0 110.205 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 mtm105 -70.8 -11.23 60.83 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.305 1.224 . . . . 25.0 114.305 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.1 t -68.48 -43.24 83.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 172.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.41 -45.93 12.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.502 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -80.12 62.28 4.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.211 1.005 . . . . 25.0 109.594 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -70.62 -22.05 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.372 -0.831 . . . . 25.0 113.1 -173.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -88.51 -9.41 52.48 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.852 0.358 . . . . 25.0 110.832 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.55 31.38 70.88 Favored Glycine 0 C--O 1.229 -0.178 0 N-CA-C 116.875 1.51 . . . . 25.0 116.875 173.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -92.45 2.76 56.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.24 2.65 73.65 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -138.94 158.09 44.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.322 -0.517 . . . . 25.0 111.428 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.7 mt -115.99 114.34 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 105.857 -1.905 . . . . 25.0 105.857 171.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.56 163.96 20.07 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.85 70.84 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.747 0.784 . . . . 25.0 110.115 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.44 84.91 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.507 -0.77 . . . . 25.0 110.53 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -69.34 -40.13 77.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.14 -0.35 . . . . 25.0 110.237 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -45.21 91.53 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -63.03 -35.5 80.43 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.658 -0.246 . . . . 25.0 110.895 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -60.73 -49.81 75.98 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.96 -45.82 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.361 -0.382 . . . . 25.0 110.696 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.9 mtt -61.52 -40.52 94.93 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.428 0.899 . . . . 25.0 113.428 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 42.3 m -62.79 -38.7 91.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.407 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.87 -28.03 63.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.48 -21.81 52.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.393 -0.367 . . . . 25.0 110.248 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.79 24.36 35.78 Favored Glycine 0 C--O 1.248 0.986 0 O-C-N 123.732 0.645 . . . . 25.0 111.732 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.21 159.24 31.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.776 0.798 . . . . 25.0 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -131.51 88.12 2.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -124.8 158.54 33.11 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 103.137 -2.912 . . . . 25.0 103.137 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -83.11 166.36 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.13 -33.25 74.13 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 121.676 -0.64 . . . . 25.0 110.47 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.89 -35.38 69.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.778 0.323 . . . . 25.0 111.324 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -66.67 -39.57 88.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.136 0.493 . . . . 25.0 110.311 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -68.4 -35.13 69.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 O-C-N 121.321 -0.862 . . . . 25.0 110.404 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -65.09 -41.35 95.09 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.35 -46.28 89.39 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 123.235 0.614 . . . . 25.0 111.357 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtp -61.08 -38.28 85.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.309 0.576 . . . . 25.0 111.464 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -72.98 -41.44 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -64.43 -35.19 80.11 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.24 -14.28 60.9 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.816 0.734 . . . . 25.0 110.977 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.78 -28.67 13.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.64 -0.255 . . . . 25.0 111.469 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -80.38 76.92 7.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.591 0.71 . . . . 25.0 111.929 -175.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.9 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 123.943 0.897 . . . . 25.0 111.205 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.68 -10.23 57.5 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.21 1.189 . . . . 25.0 114.21 -176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.05 16.54 79.66 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 118.049 1.98 . . . . 25.0 118.049 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.07 -4.84 59.05 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.56 6.24 68.28 Favored Glycine 0 C--O 1.249 1.091 0 O-C-N 121.316 -0.865 . . . . 25.0 113.53 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.84 164.38 27.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 121.48 0.657 . . . . 25.0 109.883 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.3 t -101.66 115.18 42.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -74.98 174.09 9.79 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.09 -46.86 88.9 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.03 -1.044 . . . . 25.0 112.246 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.77 -38.29 90.48 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 121.93 0.871 . . . . 25.0 110.917 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.29 -26.67 64.85 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -67.76 -28.95 68.06 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.618 -0.677 . . . . 25.0 110.315 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.62 -39.85 70.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -62.47 -41.87 99.08 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.805 -0.442 . . . . 25.0 109.805 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.5 ttp -68.94 -19.15 64.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.033 0.444 . . . . 25.0 111.522 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 ttm -82.31 -22.98 35.4 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.832 -0.543 . . . . 25.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.4 t -98.27 -10.23 24.27 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.96 174.0 10.52 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 106.272 -1.751 . . . . 25.0 106.272 167.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.7 tttp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.565 -1.683 . . . . 25.0 112.588 -172.123 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -77.07 -21.84 53.78 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.643 0.735 . . . . 25.0 109.207 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -123.81 165.96 16.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.105 -1.443 . . . . 25.0 107.105 174.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.64 142.96 54.96 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 p -82.45 164.45 20.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 173.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.99 -30.58 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -63.38 -38.99 93.29 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 121.326 0.584 . . . . 25.0 111.006 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -71.95 -34.88 69.35 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 121.806 -0.559 . . . . 25.0 111.483 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.78 -36.81 78.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 -41.12 85.73 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 110.244 -0.28 . . . . 25.0 110.244 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.38 -37.72 84.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.1 0.476 . . . . 25.0 110.805 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -69.54 -26.52 64.54 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.335 -0.853 . . . . 25.0 110.678 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.51 -36.74 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.75 -39.57 76.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.123 -0.631 . . . . 25.0 109.712 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.002 0.43 . . . . 25.0 110.683 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.06 -45.38 81.55 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 t -62.63 -33.9 75.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.676 0.75 . . . . 25.0 110.349 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.03 -24.21 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.69 -35.57 14.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.98 -0.45 . . . . 25.0 110.082 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.77 84.27 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.107 0.956 . . . . 25.0 110.851 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.27 -21.42 64.81 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.442 1.275 . . . . 25.0 114.442 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -104.57 -9.61 18.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 14.01 82.62 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 116.916 1.526 . . . . 25.0 116.916 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -82.5 -1.23 49.8 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 6.65 68.82 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.838 0.695 . . . . 25.0 114.838 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -134.55 154.6 51.38 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 117.705 0.753 . . . . 25.0 110.677 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.3 mt -113.49 123.31 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -97.67 167.2 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -58.71 -33.46 70.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.633 0.73 . . . . 25.0 110.989 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -68.0 -38.46 82.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.02 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.66 -37.48 70.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.62 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.68 -41.92 99.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.0 88.75 Favored Glycine 0 C--O 1.227 -0.324 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.429 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.7 m -65.04 -41.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.988 -0.713 . . . . 25.0 109.755 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.53 -42.58 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -63.46 -38.41 91.03 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.93 -0.481 . . . . 25.0 111.492 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -72.65 -24.14 61.0 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.941 -0.474 . . . . 25.0 112.028 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -70.52 -30.22 66.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 mt -82.09 -4.74 57.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.679 -0.691 . . . . 25.0 110.368 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.57 4.01 70.85 Favored Glycine 0 N--CA 1.458 0.146 0 N-CA-C 115.136 0.814 . . . . 25.0 115.136 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -77.13 159.58 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.142 -0.622 . . . . 25.0 111.873 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -131.84 70.68 80.9 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 122.5 0.32 . . . . 25.0 110.987 174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.72 167.46 26.31 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 118.458 -0.561 . . . . 25.0 111.184 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -87.34 162.67 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.722 -1.585 . . . . 25.0 106.722 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.87 -30.04 70.58 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.443 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.39 89.97 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.426 -0.171 . . . . 25.0 111.254 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.09 -42.91 88.69 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.832 0.825 . . . . 25.0 108.998 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.56 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.764 -0.585 . . . . 25.0 109.804 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.94 -41.87 77.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.603 -0.713 . . . . 25.0 112.353 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -31.51 66.93 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.992 1.269 . . . . 25.0 109.825 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -64.7 -24.94 67.73 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.914 -0.314 . . . . 25.0 111.384 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mm -81.4 -50.12 17.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.85 -32.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.328 0.651 . . . . 25.0 112.634 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.51 -22.72 56.06 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.23 0.538 . . . . 25.0 112.408 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -115.87 -32.05 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.198 0.523 . . . . 25.0 111.364 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -79.37 59.63 2.93 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.704 0.802 . . . . 25.0 112.74 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -23.39 66.54 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.107 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -78.99 -16.93 56.24 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.58 13.06 83.31 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 117.397 1.719 . . . . 25.0 117.397 173.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -80.18 -0.34 35.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.503 1.652 . . . . 25.0 114.323 -176.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.66 1.56 82.93 Favored Glycine 0 C--O 1.244 0.728 0 N-CA-C 115.4 0.92 . . . . 25.0 115.4 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -133.9 160.49 37.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.7 mt -104.63 107.82 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 105.095 -2.187 . . . . 25.0 105.095 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -88.26 -179.47 6.14 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.89 -46.98 99.44 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 116.287 1.958 . . . . 25.0 116.287 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.62 -21.35 25.69 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 112.957 -4.229 . . . . 25.0 113.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -67.24 -37.83 84.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -39.48 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 175.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.9 m -67.39 -37.74 83.59 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.178 0.513 . . . . 25.0 111.135 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.1 ttp -63.53 -39.35 94.18 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.255 -0.903 . . . . 25.0 109.926 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.1 mmt -69.94 -35.57 74.62 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.52 97.81 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 121.453 -0.099 . . . . 25.0 111.053 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 ptt85 -72.93 -8.79 57.28 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.9 -28.76 44.03 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 171.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.6 mmt -101.18 34.67 2.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.664 -0.698 . . . . 25.0 109.648 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -67.55 138.51 56.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -63.83 158.1 22.84 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -66.68 161.71 22.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.545 0.688 . . . . 25.0 111.798 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.26 157.93 36.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.628 -0.715 . . . . 25.0 109.915 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.6 p -98.42 174.51 6.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.642 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.87 -20.54 37.36 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.82 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.52 -39.41 94.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.068 0.395 . . . . 25.0 112.068 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.03 -45.97 72.49 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.74 -38.3 81.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.616 -1.174 . . . . 25.0 108.671 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -67.21 -34.42 77.45 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.63 -44.28 96.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 118.664 0.666 . . . . 25.0 109.658 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.92 87.88 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.358 0.599 . . . . 25.0 110.423 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.37 -41.6 98.75 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.143 -0.481 . . . . 25.0 110.158 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.74 -19.14 65.78 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.79 -39.55 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -98.24 -36.9 9.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -80.54 78.37 7.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.75 0.786 . . . . 25.0 109.773 177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -70.44 -24.03 62.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.141 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -70.91 -26.4 63.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.185 0.517 . . . . 25.0 110.635 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 20.95 76.79 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.881 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -94.25 1.46 55.98 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.309 1.596 . . . . 25.0 115.309 -172.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.25 0.92 62.95 Favored Glycine 0 N--CA 1.458 0.159 0 N-CA-C 115.926 1.131 . . . . 25.0 115.926 176.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -133.93 145.71 49.84 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.222 0.511 . . . . 25.0 109.932 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -105.78 126.37 61.14 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 105.01 -2.219 . . . . 25.0 105.01 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.8 p -110.34 168.13 9.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.533 -0.729 . . . . 25.0 110.777 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.42 76.92 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.218 0.532 . . . . 25.0 110.573 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.39 70.12 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.803 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -86.76 -38.67 16.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 25.0 111.102 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.17 -40.94 97.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -24.75 63.79 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 120.308 -0.557 . . . . 25.0 110.878 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -43.29 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.27 -42.64 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.999 -0.546 . . . . 25.0 109.612 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -62.09 -41.94 98.7 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.52 0.193 . . . . 25.0 111.52 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.6 m -62.6 -38.8 91.55 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.689 -0.632 . . . . 25.0 110.395 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.67 -23.53 60.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.769 0.285 . . . . 25.0 111.769 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.02 -19.33 58.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.913 0.387 . . . . 25.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.46 -11.63 36.16 Favored Glycine 0 CA--C 1.511 -0.159 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.652 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.46 152.94 44.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.232 0.539 . . . . 25.0 111.274 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -136.56 61.15 1.64 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.348 0.594 . . . . 25.0 111.901 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.4 163.29 27.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -82.71 161.7 22.02 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 105.808 -1.923 . . . . 25.0 105.808 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.49 -30.74 71.81 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.736 -0.602 . . . . 25.0 109.944 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -68.08 -36.42 79.79 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.191 0.52 . . . . 25.0 111.585 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.7 -36.33 83.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.695 0.76 . . . . 25.0 108.986 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.73 -32.5 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.07 -40.45 96.29 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.13 -38.75 87.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.527 -0.306 . . . . 25.0 111.681 173.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.5 mtt -67.1 -29.91 69.79 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.869 0.366 . . . . 25.0 111.602 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.3 mm -78.91 -39.19 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.68 -33.09 69.76 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 115.2 1.556 . . . . 25.0 115.2 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -68.96 -18.72 64.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.108 -1.037 . . . . 25.0 111.224 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.65 -7.96 15.54 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.65 77.93 7.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.922 0.868 . . . . 25.0 110.619 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.29 -42.5 93.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.181 -0.918 . . . . 25.0 112.374 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.51 -4.55 57.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.79 24.25 72.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.661 1.024 . . . . 25.0 115.661 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -85.07 1.34 48.19 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.684 1.242 . . . . 25.0 113.456 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.35 8.95 84.41 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-O 121.71 0.616 . . . . 25.0 113.601 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -139.7 164.44 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 25.0 110.603 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.97 116.02 42.34 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 104.966 -2.235 . . . . 25.0 104.966 170.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -87.19 171.75 10.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -59.5 -44.31 93.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -41.16 93.49 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.634 -0.666 . . . . 25.0 110.932 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.18 -33.81 76.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.099 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -35.86 81.32 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.921 -0.487 . . . . 25.0 110.796 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.25 -39.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 175.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -39.07 93.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.018 -0.426 . . . . 25.0 110.501 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttt -69.06 -17.08 63.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.615 0.766 . . . . 25.0 111.595 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.9 ttm -83.7 -25.24 30.81 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.878 -0.514 . . . . 25.0 111.698 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.1 t -111.2 -11.66 14.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.812 0.671 . . . . 25.0 112.812 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.93 -160.89 1.01 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 104.899 -2.26 . . . . 25.0 104.899 -177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 C--O 1.257 1.49 0 N-CA-C 103.705 -2.702 . . . . 25.0 103.705 171.87 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -75.12 165.18 25.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.765 -1.939 . . . . 25.0 105.765 173.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -131.81 144.48 50.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.935 -0.478 . . . . 25.0 111.221 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.98 140.67 58.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.509 -0.769 . . . . 25.0 109.944 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 p -105.05 160.04 15.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.242 -1.021 . . . . 25.0 108.242 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.57 -26.54 66.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.238 0.542 . . . . 25.0 110.608 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -64.03 -44.59 92.08 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.404 0.621 . . . . 25.0 109.844 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.38 -39.14 91.9 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 116.112 -0.495 . . . . 25.0 110.336 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.5 -38.61 80.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.58 84.11 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.829 -0.545 . . . . 25.0 110.901 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.11 -41.18 95.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.23 0.538 . . . . 25.0 110.39 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -70.54 -21.47 62.71 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.948 -0.47 . . . . 25.0 111.161 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -69.25 -40.22 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.564 -0.71 . . . . 25.0 109.324 174.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -67.21 -42.6 83.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.98 74.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.157 -0.474 . . . . 25.0 111.321 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -62.53 -45.36 93.31 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 122.278 -0.264 . . . . 25.0 110.621 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -71.05 -15.67 62.55 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.422 0.629 . . . . 25.0 112.618 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -32.83 71.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 174.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.54 -44.47 9.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 25.0 111.52 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -78.81 93.32 4.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.772 0.796 . . . . 25.0 109.938 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -78.74 -24.21 44.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.547 -0.751 . . . . 25.0 110.901 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.73 -37.18 67.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.052 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.7 19.82 65.03 Favored Glycine 0 C--O 1.223 -0.545 0 CA-C-N 115.806 -0.634 . . . . 25.0 112.434 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.97 -13.58 38.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.4 6.35 41.68 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.917 0.727 . . . . 25.0 114.917 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -133.97 155.8 49.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.436 0.618 . . . . 25.0 110.527 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mt -119.71 129.38 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 176.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -114.32 173.77 6.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -55.95 -36.75 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.093 0.406 . . . . 25.0 111.99 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -59.76 -40.59 88.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 25.0 111.028 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.17 -43.31 24.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.982 -177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -44.88 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -34.63 90.44 Favored Glycine 0 C--O 1.216 -0.988 0 CA-C-N 115.688 -0.687 . . . . 25.0 113.031 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -61.22 -44.16 97.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.386 1.093 . . . . 25.0 109.441 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.81 -41.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.769 -0.372 . . . . 25.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmt -64.97 -36.49 84.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.683 -0.636 . . . . 25.0 111.856 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -73.48 -23.88 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.632 -0.667 . . . . 25.0 110.858 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -20.63 61.44 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.068 0.461 . . . . 25.0 109.778 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.92 7.49 39.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.123 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 4.2 88.06 Favored Glycine 0 C--O 1.23 -0.113 0 N-CA-C 114.561 0.584 . . . . 25.0 114.561 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -82.04 161.59 22.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -133.5 64.07 67.17 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.941 -0.475 . . . . 25.0 111.824 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.21 169.02 23.42 Favored 'Trans proline' 0 C--N 1.351 0.676 0 O-C-N 121.867 0.404 . . . . 25.0 112.79 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.1 p -95.22 160.5 14.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.29 -24.46 62.15 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.476 -0.765 . . . . 25.0 111.224 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.82 -39.02 64.37 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 121.234 0.54 . . . . 25.0 109.995 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.63 -44.04 97.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.16 -0.927 . . . . 25.0 109.144 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.72 -33.37 75.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.992 -0.549 . . . . 25.0 110.318 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -69.84 -40.53 75.76 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.925 0.713 . . . . 25.0 112.925 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -70.1 -31.46 69.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.88 1.218 . . . . 25.0 110.552 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.6 mtt -66.7 -28.08 68.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.276 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.48 -43.13 26.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.2 -32.97 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.4 0.28 . . . . 25.0 111.235 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.31 -25.38 61.83 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.28 -9.88 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -86.31 56.67 4.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.861 0.839 . . . . 25.0 110.853 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -20.53 63.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -89.09 -8.07 54.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.14 16.41 70.87 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 116.15 1.22 . . . . 25.0 116.15 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.97 -1.84 55.42 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.074 1.437 . . . . 25.0 114.139 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.24 -3.17 85.56 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 116.776 1.471 . . . . 25.0 116.776 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -136.7 160.45 38.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.088 0.944 . . . . 25.0 111.015 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.0 mt -88.45 115.39 28.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -92.04 172.47 8.42 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -54.14 -45.9 98.96 Favored Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 117.296 2.332 . . . . 25.0 117.296 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.32 -22.96 24.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 113.335 -3.976 . . . . 25.0 113.484 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.61 -31.53 57.49 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.51 -37.3 84.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.88 -39.71 92.86 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -69.31 -39.5 78.23 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.135 0.493 . . . . 25.0 111.047 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.5 ttp -62.11 -40.14 94.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 25.0 109.487 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm -73.91 -31.2 62.98 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.46 -0.336 . . . . 25.0 110.856 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.31 96.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.293 0.497 . . . . 25.0 111.964 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -68.76 -28.21 66.6 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.213 -0.995 . . . . 25.0 110.895 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -72.74 -28.85 62.88 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.616 -0.677 . . . . 25.0 109.74 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 97.5 mmm -90.63 20.65 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.088 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.8 pttt 47.58 33.18 2.8 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.021 1.86 . . . . 25.0 116.021 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -114.43 47.0 1.28 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.367 0.877 . . . . 25.0 113.367 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -138.04 162.72 33.41 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.27 -38.84 77.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -176.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.4 p -69.02 -25.04 64.29 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.57 0.7 . . . . 25.0 111.339 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -87.21 -18.32 30.58 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.869 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 86' ' ' ARG . 22.4 tt0 -62.83 -35.21 79.17 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -173.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.69 -39.05 93.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.979 0.895 . . . . 25.0 109.726 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.08 -37.0 58.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HB2' ' HA ' ' A' ' 83' ' ' GLU . 6.0 ttt180 -56.31 -44.65 80.12 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.388 0.675 . . . . 25.0 109.613 175.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -47.15 79.16 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.024 -0.271 . . . . 25.0 110.773 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.57 83.24 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.186 0.517 . . . . 25.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.51 -42.44 82.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -66.51 -15.83 63.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -60.6 -39.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -103.29 -35.63 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -81.91 69.45 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -64.95 -30.24 71.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.051 1.13 . . . . 25.0 114.051 -170.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -91.56 -2.39 57.16 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.92 12.54 68.19 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 116.463 1.345 . . . . 25.0 116.463 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.94 2.03 15.94 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.09 -0.92 73.06 Favored Glycine 0 CA--C 1.516 0.129 0 N-CA-C 115.422 0.929 . . . . 25.0 115.422 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -133.68 139.2 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -97.54 114.9 35.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.249 -1.76 . . . . 25.0 106.249 172.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.6 p -88.85 162.16 16.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.85 76.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.92 0.39 . . . . 25.0 110.787 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.13 95.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 25.0 110.682 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.43 -42.05 79.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 25.0 111.0 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.75 -48.57 80.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -61.44 -34.82 76.04 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -59.73 -49.33 78.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.236 0.541 . . . . 25.0 110.214 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.34 -42.62 96.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.342 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.2 mtp -64.45 -37.31 87.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 m -62.17 -37.39 85.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.997 0.427 . . . . 25.0 110.041 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -72.3 -23.83 61.24 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.829 -0.544 . . . . 25.0 110.752 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.16 -13.43 59.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 25.0 110.036 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.11 51.55 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-N 116.181 -0.463 . . . . 25.0 113.184 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.75 151.26 43.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.113 0.483 . . . . 25.0 111.303 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.81 53.32 2.01 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.087 0.47 . . . . 25.0 111.849 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.14 159.41 34.72 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.282 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.1 p -85.31 171.02 12.22 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.06 -37.07 81.35 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -73.23 -35.2 66.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.823 -0.626 . . . . 25.0 112.152 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -66.82 -36.96 83.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.11 -35.57 53.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.25 -41.32 98.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.75 -33.02 74.73 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.562 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.6 mtp -68.58 -23.73 64.52 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.8 mm -82.07 -40.16 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -58.52 -32.46 68.87 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.179 1.177 . . . . 25.0 114.179 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -69.01 -10.89 59.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.901 0.334 . . . . 25.0 111.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -121.3 -25.3 5.26 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.61 83.42 4.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.7 mt -68.14 -43.95 84.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.213 -0.903 . . . . 25.0 110.672 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -81.9 -13.31 57.74 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.95 16.88 78.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 116.789 1.476 . . . . 25.0 116.789 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -83.44 -0.13 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 9.87 79.04 Favored Glycine 0 C--O 1.239 0.415 0 C-N-CA 121.412 -0.423 . . . . 25.0 113.496 177.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -137.39 166.83 22.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -105.39 116.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -81.3 170.57 15.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -59.96 -48.19 82.73 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -66.15 -36.01 81.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.454 0.645 . . . . 25.0 111.885 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.76 -36.32 83.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.311 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.41 -37.86 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.255 -0.278 . . . . 25.0 110.285 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.64 -42.17 94.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.28 -44.02 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.961 -0.462 . . . . 25.0 111.925 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.7 ptm -65.98 -18.82 65.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.105 0.479 . . . . 25.0 111.727 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.0 ttm -75.46 -27.72 59.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.686 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.0 t -111.98 -17.07 12.96 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.824 1.416 . . . . 25.0 114.824 -175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -148.97 140.73 23.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.423 0.556 . . . . 25.0 110.443 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.8 mttt . . . . . 0 C--O 1.256 1.425 0 N-CA-C 103.262 -2.866 . . . . 25.0 103.262 176.639 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 110.577 -0.157 . . . . 25.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.32 162.45 9.9 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.914 -0.773 . . . . 25.0 108.914 170.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -74.71 142.41 44.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.229 0.538 . . . . 25.0 110.556 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.95 139.45 58.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 -174.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.8 p -125.42 167.21 15.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.086 -2.19 . . . . 25.0 105.086 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.5 -29.11 70.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.455 0.57 . . . . 25.0 110.847 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -64.14 -43.43 95.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.485 0.66 . . . . 25.0 110.748 176.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -67.61 -38.1 83.47 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 120.988 0.423 . . . . 25.0 110.285 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.98 -36.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.87 -0.789 . . . . 25.0 108.87 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.09 85.9 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.835 -0.541 . . . . 25.0 110.32 175.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -61.03 -41.78 97.22 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.423 0.63 . . . . 25.0 110.396 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -67.18 -29.35 69.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.752 -0.593 . . . . 25.0 110.526 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -71.32 -38.08 71.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.197 -0.314 . . . . 25.0 110.445 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.52 -41.1 80.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.462 -0.57 . . . . 25.0 109.462 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.5 81.31 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.985 0.421 . . . . 25.0 110.689 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.26 -43.21 92.01 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.485 -0.561 . . . . 25.0 109.485 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -67.82 -15.31 63.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.651 0.262 . . . . 25.0 111.648 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -85.95 -26.49 25.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.659 0.742 . . . . 25.0 109.65 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -83.45 -40.24 19.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -72.32 111.57 7.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -82.15 -17.36 46.61 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.17 -24.87 17.35 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.186 -0.916 . . . . 25.0 110.34 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.11 81.94 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.934 -0.575 . . . . 25.0 114.35 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.77 -22.11 34.39 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.882 1.438 . . . . 25.0 114.882 -174.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.18 -1.44 14.55 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.4 p -133.25 151.44 51.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 117.479 0.64 . . . . 25.0 111.976 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -110.89 127.63 67.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.166 -1.79 . . . . 25.0 106.166 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -112.02 172.17 7.06 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 110.14 -0.319 . . . . 25.0 110.14 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.14 -40.24 67.22 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -62.54 -38.74 91.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.134 0.492 . . . . 25.0 111.801 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.17 -44.22 60.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.044 0.45 . . . . 25.0 110.677 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.91 -41.06 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.69 -33.96 88.64 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.663 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -63.0 -45.29 93.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -67.36 -45.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.737 0.303 . . . . 25.0 110.435 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mmm -60.47 -44.68 95.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.019 0.438 . . . . 25.0 112.023 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -70.29 -31.67 69.11 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.534 -0.729 . . . . 25.0 111.043 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -63.98 -34.78 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.09 8.01 11.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.216 -0.447 . . . . 25.0 111.963 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.12 10.98 84.28 Favored Glycine 0 C--O 1.225 -0.433 0 N-CA-C 114.874 0.71 . . . . 25.0 114.874 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -77.62 -3.2 39.69 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 117.764 0.782 . . . . 25.0 111.742 -176.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 31.72 51.72 0.63 Allowed Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 118.186 2.661 . . . . 25.0 118.186 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -82.0 164.84 17.56 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 115.817 -2.322 . . . . 25.0 114.574 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.6 p -96.07 165.46 12.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 171.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -69.66 -18.99 63.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.97 -40.67 60.6 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 110.474 -0.195 . . . . 25.0 110.474 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.21 -40.53 94.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.344 1.069 . . . . 25.0 109.029 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.68 -28.05 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.289 -0.868 . . . . 25.0 110.607 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -72.53 -47.24 49.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 119.296 -0.383 . . . . 25.0 111.489 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 -31.98 70.14 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 119.586 -0.846 . . . . 25.0 111.829 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.98 -27.07 67.14 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.101 -0.375 . . . . 25.0 111.642 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -79.85 -42.19 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.99 -31.48 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 117.848 0.295 . . . . 25.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.04 -17.05 56.13 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 t -118.56 -25.26 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 120.896 0.379 . . . . 25.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.14 53.94 1.02 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.437 1.273 . . . . 25.0 114.437 -175.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -14.01 62.17 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.063 0.458 . . . . 25.0 112.172 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -85.78 -16.34 39.14 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 123.601 0.76 . . . . 25.0 111.822 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.13 88.78 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 117.86 1.904 . . . . 25.0 117.86 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -1.12 35.08 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.495 1.647 . . . . 25.0 114.909 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.1 -0.49 87.35 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 117.228 1.651 . . . . 25.0 117.228 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.7 p -138.79 168.35 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.791 0.795 . . . . 25.0 111.182 -176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -103.14 103.23 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.16 171.03 14.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -53.5 -49.64 87.46 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 114.779 1.4 . . . . 25.0 114.779 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.74 -24.94 54.13 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 114.385 -3.277 . . . . 25.0 114.428 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -78.72 -27.0 44.81 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.817 -0.552 . . . . 25.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.94 -38.03 82.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 174.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.37 -40.9 94.14 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.921 174.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -65.02 -36.97 86.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.012 0.434 . . . . 25.0 110.884 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.9 ttp -63.86 -44.7 92.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.0 mtm -70.5 -28.48 65.0 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.942 -0.303 . . . . 25.0 111.414 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.66 -21.44 64.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.81 0.338 . . . . 25.0 111.269 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -66.69 -25.8 66.72 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.734 -0.604 . . . . 25.0 111.258 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -93.96 -7.6 42.45 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 123.069 0.231 . . . . 25.0 111.521 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.6 mtp -84.77 7.42 20.73 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.429 0.633 . . . . 25.0 110.076 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.32 -171.36 2.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -74.82 57.35 0.77 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.104 0.562 . . . . 25.0 111.56 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.4 p -137.63 156.69 47.77 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.611 0.764 . . . . 25.0 108.971 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -63.31 143.85 57.45 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.4 p -148.75 163.16 38.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.21 -17.96 65.06 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.241 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.73 -40.6 95.6 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.082 -0.963 . . . . 25.0 111.84 -174.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -30.12 69.22 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.175 -0.61 . . . . 25.0 110.252 -176.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.91 -42.8 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -66.83 -40.6 88.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.67 177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -39.49 85.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.51 91.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.52 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -69.26 -15.06 63.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.62 -42.46 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 172.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -78.43 -47.17 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.147 0.499 . . . . 25.0 109.958 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -84.39 65.42 8.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.014 0.912 . . . . 25.0 109.253 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -66.75 -20.19 65.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -91.44 -4.09 55.97 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.33 23.11 76.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 117.874 1.909 . . . . 25.0 117.874 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.0 -25.95 65.66 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.183 1.491 . . . . 25.0 113.482 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.46 3.61 69.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.477 -1.449 . . . . 25.0 109.477 -167.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -142.74 134.49 26.77 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.478 0.711 . . . . 25.0 111.193 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.83 133.38 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.5 p -109.74 168.58 9.31 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.238 -0.282 . . . . 25.0 110.238 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.69 79.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.945 0.402 . . . . 25.0 111.532 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.02 71.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.262 0.553 . . . . 25.0 111.504 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -83.46 -42.76 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.083 -0.508 . . . . 25.0 110.619 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.19 -44.06 97.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.191 -0.3 . . . . 25.0 110.191 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.03 66.33 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.73 -0.606 . . . . 25.0 111.59 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -68.07 -42.85 79.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.05 -45.4 94.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.2 mtt -62.47 -35.04 78.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.202 0.815 . . . . 25.0 113.202 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.7 m -59.01 -41.23 87.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.66 -25.56 60.33 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.803 0.297 . . . . 25.0 111.803 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -74.32 -19.95 60.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.47 14.03 24.82 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.124 -0.489 . . . . 25.0 114.07 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.59 163.07 28.15 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.86 37.75 3.24 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 122.132 0.968 . . . . 25.0 109.89 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.71 163.22 24.68 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.217 -1.356 . . . . 25.0 108.298 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -92.78 163.17 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -32.85 70.26 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.24 -40.63 77.79 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.501 0.72 . . . . 25.0 112.278 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.62 -38.96 90.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.722 0.773 . . . . 25.0 109.402 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.39 -35.31 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.165 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.41 -39.1 93.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.347 0.594 . . . . 25.0 110.303 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.08 -28.88 65.78 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.507 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.0 mtt -72.64 -23.66 60.94 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.706 -0.621 . . . . 25.0 111.656 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.96 -41.64 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 171.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -65.84 -31.3 72.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.104 1.52 . . . . 25.0 115.104 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -70.54 -17.87 62.93 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.807 -0.757 . . . . 25.0 111.344 177.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.75 -1.63 29.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.153 0.502 . . . . 25.0 110.502 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -86.93 80.97 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.811 0.815 . . . . 25.0 112.109 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.55 -42.87 90.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.447 -0.797 . . . . 25.0 111.728 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -88.81 -4.97 58.36 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.433 1.272 . . . . 25.0 114.433 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.66 18.77 76.99 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 116.461 1.344 . . . . 25.0 116.461 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -85.91 -2.11 57.95 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.34 8.9 85.7 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 114.529 0.572 . . . . 25.0 114.529 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -136.63 169.86 17.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.285 0.543 . . . . 25.0 109.658 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.1 t -101.33 117.13 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.08 168.05 20.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.571 -1.641 . . . . 25.0 106.571 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.24 -46.2 86.37 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 112.837 0.681 . . . . 25.0 112.837 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.56 -37.64 87.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.484 -0.76 . . . . 25.0 111.509 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.27 -37.88 88.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.68 -41.17 92.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 25.0 110.986 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.97 -41.27 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.22 -48.03 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.029 -0.42 . . . . 25.0 111.69 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.2 ptm -67.87 -21.13 65.18 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.742 -0.599 . . . . 25.0 111.747 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.3 tpp -70.54 -32.13 69.45 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 122.094 -0.379 . . . . 25.0 111.27 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.5 t -109.86 -15.03 14.19 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.975 1.472 . . . . 25.0 114.975 -174.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -102.88 39.55 1.52 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.375 0.607 . . . . 25.0 109.885 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.6 pttt . . . . . 0 C--O 1.247 0.965 0 CA-C-N 114.822 -1.081 . . . . 25.0 110.03 -178.869 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.597 -0.52 . . . . 25.0 109.597 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -91.05 163.58 14.26 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -137.82 163.73 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tp -72.87 160.37 32.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.281 0.562 . . . . 25.0 110.305 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 -26.02 7.66 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 114.784 1.402 . . . . 25.0 114.784 -175.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.93 -28.3 68.18 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.356 -0.84 . . . . 25.0 110.874 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.62 -43.46 89.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.402 174.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -66.89 -36.12 81.56 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 121.907 -0.495 . . . . 25.0 110.716 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.82 -37.07 78.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.87 85.75 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.111 -0.368 . . . . 25.0 110.393 176.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.17 -46.0 92.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.683 0.754 . . . . 25.0 110.314 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -70.83 -19.13 62.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.711 -0.618 . . . . 25.0 112.272 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -69.17 -40.54 78.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -73.49 -35.9 65.72 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.96 -0.696 . . . . 25.0 109.482 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.05 73.45 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.734 0.302 . . . . 25.0 110.719 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -68.41 -44.17 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -65.98 -22.48 66.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.992 0.425 . . . . 25.0 111.565 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.9 tp -62.72 -36.31 82.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 25.0 109.486 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -89.93 -39.14 13.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.094 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -79.68 80.83 6.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.899 0.856 . . . . 25.0 110.392 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.67 -21.54 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.482 1.289 . . . . 25.0 114.482 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -112.34 0.54 15.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.773 0.657 . . . . 25.0 112.773 -175.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 18.26 75.95 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -80.1 -1.15 38.85 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.091 0.946 . . . . 25.0 113.182 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.09 -0.26 75.43 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.906 0.722 . . . . 25.0 114.906 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -134.86 155.46 50.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 117.148 0.474 . . . . 25.0 111.385 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -108.95 118.26 56.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.726 -1.213 . . . . 25.0 107.726 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.0 p -91.97 168.75 11.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.654 -0.703 . . . . 25.0 109.407 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.2 p -61.98 -31.83 72.23 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.45 -47.89 80.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.424 0.631 . . . . 25.0 109.708 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.2 -40.18 68.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.465 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.32 -43.29 99.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -34.26 88.78 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.764 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -44.95 94.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.399 0.6 . . . . 25.0 109.769 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.62 -42.21 86.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.991 -0.283 . . . . 25.0 110.348 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.6 mtt -62.91 -39.22 93.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.817 -0.552 . . . . 25.0 112.43 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.85 -21.64 60.03 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.683 -0.636 . . . . 25.0 111.37 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -73.38 -26.27 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.036 0.446 . . . . 25.0 109.876 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -90.98 0.8 57.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.716 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.34 0.09 67.93 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 116.624 1.41 . . . . 25.0 116.624 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -79.14 151.74 31.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 118.793 1.297 . . . . 25.0 109.275 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -115.6 60.54 1.6 Allowed Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.016 0.527 . . . . 25.0 112.004 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.66 153.98 49.19 Favored 'Trans proline' 0 C--O 1.25 1.111 0 C-N-CA 115.623 -2.452 . . . . 25.0 114.806 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -82.03 165.69 20.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.782 -1.099 . . . . 25.0 109.022 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -65.68 -32.01 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.957 -0.465 . . . . 25.0 111.202 177.587 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.52 80.24 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.819 0.342 . . . . 25.0 110.386 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.19 -46.0 89.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.827 0.822 . . . . 25.0 109.598 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.61 -30.0 67.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.323 -0.853 . . . . 25.0 110.755 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.72 -48.51 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.11 -38.33 82.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.746 0.307 . . . . 25.0 111.461 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.86 -29.52 70.7 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.906 0.336 . . . . 25.0 111.906 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.75 -44.42 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -58.4 -32.53 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 122.628 0.371 . . . . 25.0 110.974 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.38 -17.66 32.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.062 1.504 . . . . 25.0 115.062 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -13.58 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.897 1.073 . . . . 25.0 113.897 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -82.99 59.85 5.13 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.496 0.665 . . . . 25.0 112.491 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.86 67.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.255 0.55 . . . . 25.0 111.832 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -81.18 -18.73 45.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.609 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.48 82.24 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 117.945 1.938 . . . . 25.0 117.945 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -80.34 3.07 22.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.418 1.609 . . . . 25.0 114.545 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.9 3.58 87.8 Favored Glycine 0 C--O 1.239 0.457 0 N-CA-C 115.271 0.868 . . . . 25.0 115.271 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -139.47 164.71 29.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.33 0.565 . . . . 25.0 111.518 -177.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.19 114.01 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 105.987 -1.857 . . . . 25.0 105.987 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.24 174.0 8.09 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -55.08 -46.63 99.63 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 116.469 2.026 . . . . 25.0 116.469 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.53 -22.22 24.87 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.404 -3.931 . . . . 25.0 113.635 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.83 -31.85 57.18 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.77 -37.47 82.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -61.6 -41.81 97.98 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.8 m -66.78 -38.53 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.614 0.721 . . . . 25.0 111.495 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -62.23 -36.23 81.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.383 0.673 . . . . 25.0 109.787 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.6 mmt -81.0 -37.42 29.22 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.133 -0.355 . . . . 25.0 111.265 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.34 73.36 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -68.92 -2.12 8.96 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.87 0.693 . . . . 25.0 112.87 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -108.8 -13.04 14.84 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 123.126 0.57 . . . . 25.0 110.734 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.8 mmt -82.89 1.36 39.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.531 0.682 . . . . 25.0 109.896 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -90.96 -9.89 44.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.444 -0.798 . . . . 25.0 110.672 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -84.39 159.7 20.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.638 -1.245 . . . . 25.0 107.638 -171.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.6 p -68.55 -2.68 9.43 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 -173.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -76.48 -7.27 54.78 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.4 p -89.1 -179.45 5.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 122.075 0.94 . . . . 25.0 112.601 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -60.73 -13.95 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -29.23 70.33 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.542 -0.724 . . . . 25.0 111.963 -178.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -67.35 -39.31 85.75 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.631 0.729 . . . . 25.0 109.311 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.49 -36.82 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -66.69 -42.81 85.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.036 -0.415 . . . . 25.0 111.09 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.01 -47.34 86.9 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.63 82.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.392 . . . . 25.0 111.7 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.89 -40.81 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.013 0.435 . . . . 25.0 109.907 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -70.85 -19.17 62.67 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.15 -37.82 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.293 -1.002 . . . . 25.0 108.293 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -86.17 -45.22 11.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.196 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -84.48 71.96 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.706 0.765 . . . . 25.0 110.635 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -71.54 -15.82 62.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.698 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -72.19 -26.18 61.96 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.98 20.34 77.75 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.76 2.62 56.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.87 3.81 70.19 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 114.786 0.674 . . . . 25.0 114.786 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -139.42 140.96 37.5 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.855 0.328 . . . . 25.0 110.51 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt -99.79 122.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 172.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.7 p -89.29 164.74 14.8 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.846 0.355 . . . . 25.0 110.084 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.17 76.17 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.38 96.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.202 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.17 -39.8 78.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.452 -0.155 . . . . 25.0 110.736 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.38 -45.1 89.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.415 0.626 . . . . 25.0 109.369 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -59.6 -40.3 87.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.591 -0.731 . . . . 25.0 110.707 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.71 -48.42 79.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.382 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.48 -45.42 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mtm -64.02 -37.81 88.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 55.9 m -59.84 -38.75 82.95 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.196 -0.315 . . . . 25.0 110.242 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.65 -25.8 61.41 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 122.107 -0.371 . . . . 25.0 111.452 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.2 mt -76.82 -14.66 59.89 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.46 -8.76 57.02 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 111.887 -0.485 . . . . 25.0 111.887 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.02 148.53 45.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.356 0.598 . . . . 25.0 110.861 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -136.02 56.4 1.82 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.103 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.35 159.94 33.66 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.6 -1.629 . . . . 25.0 106.6 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.8 p -83.5 167.14 17.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.72 -33.73 74.55 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 121.757 0.789 . . . . 25.0 110.504 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.83 -43.5 83.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.923 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -36.17 83.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.251 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.16 -41.19 86.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.64 -41.89 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.922 0.391 . . . . 25.0 110.801 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.74 -43.46 85.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.289 0.566 . . . . 25.0 110.687 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.7 ttm -64.07 -40.03 95.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.28 -41.32 78.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.496 -0.774 . . . . 25.0 109.171 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -62.1 -30.27 70.9 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -175.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.08 -17.21 62.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.143 0.497 . . . . 25.0 111.784 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.83 -20.04 14.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.729 0.3 . . . . 25.0 111.478 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -82.76 81.71 8.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -64.23 -44.48 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.761 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -85.69 -8.27 58.3 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -174.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.58 17.54 80.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 116.204 1.242 . . . . 25.0 116.204 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -82.38 0.04 43.75 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.582 1.191 . . . . 25.0 113.706 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.43 5.12 85.3 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.66 -0.305 . . . . 25.0 113.731 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -135.67 166.63 22.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.365 -0.491 . . . . 25.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -101.63 115.18 42.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -77.62 170.42 16.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -59.83 -43.16 94.7 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.645 -0.659 . . . . 25.0 112.407 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.31 -36.37 79.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.863 0.84 . . . . 25.0 111.147 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.61 -33.67 74.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.388 -0.823 . . . . 25.0 110.358 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.42 -41.54 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.97 -39.86 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.96 -51.28 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.807 -0.558 . . . . 25.0 110.738 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.36 -17.97 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.816 -0.552 . . . . 25.0 112.081 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.38 -37.39 80.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.81 -0.556 . . . . 25.0 109.535 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.2 t -100.98 -25.33 14.11 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.594 1.331 . . . . 25.0 114.594 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.5 137.06 32.65 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt . . . . . 0 C--O 1.252 1.196 0 CA-C-O 115.705 -2.093 . . . . 25.0 105.616 -179.276 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.306 -0.257 . . . . 25.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -89.93 -173.4 3.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.585 -0.895 . . . . 25.0 108.585 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -69.03 163.14 25.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.944 0.402 . . . . 25.0 110.581 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.84 147.51 51.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 p -79.52 164.75 23.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.11 -27.7 67.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.676 -0.64 . . . . 25.0 111.201 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -65.06 -42.91 93.79 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 109.33 -0.619 . . . . 25.0 109.33 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.7 -40.24 92.06 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.461 0.648 . . . . 25.0 110.181 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.72 -35.82 72.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -39.33 79.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.007 -0.433 . . . . 25.0 110.838 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.85 -43.19 99.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.334 0.588 . . . . 25.0 109.816 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -67.71 -24.9 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.681 -0.637 . . . . 25.0 111.426 177.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.0 -41.15 71.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.189 -0.319 . . . . 25.0 110.547 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.56 -35.28 67.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.852 -0.739 . . . . 25.0 109.351 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.11 74.7 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.004 0.431 . . . . 25.0 110.138 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -67.77 -43.86 78.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.127 -0.358 . . . . 25.0 110.189 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -65.54 -21.32 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.01 -39.91 91.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -88.29 -37.92 15.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.545 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.96 85.94 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.015 0.912 . . . . 25.0 111.204 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -69.91 -24.26 63.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 25.0 112.057 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.09 -27.89 54.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 121.109 -0.236 . . . . 25.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.53 22.99 76.52 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.429 -0.415 . . . . 25.0 112.966 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -102.25 -0.59 32.73 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.233 1.197 . . . . 25.0 114.233 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.98 8.4 61.77 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.724 0.65 . . . . 25.0 114.724 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -130.29 155.8 45.71 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.395 0.597 . . . . 25.0 111.007 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.6 mt -119.27 120.2 63.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 169.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -109.28 171.03 7.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 t -55.61 -33.79 64.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -58.83 -45.52 89.81 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.733 0.778 . . . . 25.0 110.544 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.39 -38.82 59.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.491 -0.777 . . . . 25.0 111.332 -175.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.79 -44.87 96.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.1 91.61 Favored Glycine 0 C--O 1.223 -0.564 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.394 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.2 m -64.34 -43.2 95.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.019 -0.695 . . . . 25.0 110.509 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.59 -40.5 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 25.0 110.058 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.7 -40.27 94.43 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.937 -0.477 . . . . 25.0 110.967 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.61 -18.19 61.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.391 -0.818 . . . . 25.0 112.274 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -72.46 -26.91 62.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 171.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -92.0 5.28 50.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.895 0.878 . . . . 25.0 110.051 176.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.11 -7.06 68.39 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 114.971 0.748 . . . . 25.0 114.971 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -79.53 128.52 33.48 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.25 68.19 79.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 25.0 111.387 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.83 172.46 15.3 Favored 'Trans proline' 0 C--O 1.242 0.719 0 O-C-N 121.836 0.387 . . . . 25.0 112.256 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -77.23 166.34 23.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.479 0.657 . . . . 25.0 110.001 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -65.97 -27.51 68.2 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.06 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.443 -0.16 . . . . 25.0 110.618 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.65 -41.33 96.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.917 0.865 . . . . 25.0 108.958 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.14 -34.8 78.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.909 -0.495 . . . . 25.0 110.371 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -67.19 -45.72 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.44 -31.2 69.38 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.313 -0.955 . . . . 25.0 111.398 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 81.2 mtp -69.95 -28.34 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 25.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.6 mm -73.39 -46.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 174.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.56 -29.01 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.923 0.489 . . . . 25.0 112.247 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -23.71 51.97 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.88 -34.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.084 0.468 . . . . 25.0 111.012 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -78.98 63.4 3.65 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.96 0.904 . . . . 25.0 113.429 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.69 67.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.565 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.13 -16.21 53.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 11.5 85.47 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.055 1.982 . . . . 25.0 118.055 173.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -77.21 4.93 9.35 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.473 1.636 . . . . 25.0 114.988 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.15 3.65 88.78 Favored Glycine 0 C--O 1.245 0.803 0 N-CA-C 114.248 0.459 . . . . 25.0 114.248 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.5 p -140.66 166.34 25.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.532 0.682 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -112.65 102.95 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 175.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -77.18 176.55 8.63 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -54.55 -47.12 98.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -65.45 -26.85 54.86 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 114.29 -3.34 . . . . 25.0 113.86 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -75.96 -28.93 58.1 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.985 -0.447 . . . . 25.0 110.154 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.27 -37.06 84.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.896 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 m -64.5 -38.06 89.71 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 122.013 -0.43 . . . . 25.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.5 ttp -66.81 -37.14 83.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.793 -0.567 . . . . 25.0 110.218 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 mmt -67.67 -36.74 81.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.427 -0.582 . . . . 25.0 109.427 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.88 78.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.079 -0.388 . . . . 25.0 110.959 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -64.2 -36.26 83.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -69.67 -22.61 63.42 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 120.677 0.275 . . . . 25.0 111.125 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.53 5.08 11.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' ' 78' ' ' ASP . 5.4 tmtt? -72.64 144.1 47.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.014 -0.674 . . . . 25.0 109.246 177.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.459 ' H ' ' HD3' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -60.24 150.1 31.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.883 -1.053 . . . . 25.0 110.517 178.656 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -158.75 162.82 37.16 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 105.066 -2.198 . . . . 25.0 105.066 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -49.29 -46.77 46.93 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.783 1.401 . . . . 25.0 114.783 -171.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 p -72.14 -30.71 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -91.67 -22.94 19.99 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.823 1.046 . . . . 25.0 113.823 -177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -60.07 -38.37 82.66 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -172.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.9 -43.34 99.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.574 0.702 . . . . 25.0 110.23 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.09 -42.11 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -65.11 -40.43 94.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.685 0.254 . . . . 25.0 111.685 -178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.49 -46.19 84.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.874 0.369 . . . . 25.0 110.701 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.55 -40.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.514 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -63.78 -25.71 68.3 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.59 -43.17 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -82.68 -38.69 23.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 25.0 110.91 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -88.1 54.98 3.26 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.134 0.969 . . . . 25.0 109.146 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -2.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 115.264 1.579 . . . . 25.0 115.264 -175.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 p30 -114.93 1.51 14.04 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.41 41.0 86.56 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -83.18 -27.13 30.26 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.545 1.173 . . . . 25.0 111.459 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.1 4.03 69.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.995 -1.642 . . . . 25.0 108.995 -167.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -142.05 137.51 31.11 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 123.797 0.839 . . . . 25.0 110.246 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -96.11 114.22 32.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.8 p -84.11 164.46 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.705 -0.622 . . . . 25.0 110.407 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.35 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.202 0.525 . . . . 25.0 110.01 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.61 78.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.069 0.461 . . . . 25.0 111.506 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.04 -41.16 64.49 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.114 -0.366 . . . . 25.0 110.88 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.93 -42.46 97.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -58.07 -37.84 75.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 25.0 111.38 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.58 -46.88 77.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.062 -0.399 . . . . 25.0 110.924 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.64 -45.91 96.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.387 -0.598 . . . . 25.0 109.387 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mtt -59.52 -37.71 79.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.8 m -62.25 -40.0 94.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -72.46 -26.45 61.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.774 0.321 . . . . 25.0 111.141 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.79 -14.03 59.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.03 0.443 . . . . 25.0 110.031 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.81 26.16 35.84 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.245 -0.434 . . . . 25.0 113.212 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 162.9 28.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.441 0.621 . . . . 25.0 111.821 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -131.17 35.57 3.9 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.627 0.727 . . . . 25.0 110.651 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.95 156.28 26.05 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.282 -1.326 . . . . 25.0 109.133 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.4 p -83.87 165.44 18.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 177.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.0 -34.07 77.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.86 -35.46 74.72 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.395 0.678 . . . . 25.0 111.498 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.09 -37.06 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.353 0.597 . . . . 25.0 110.266 177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.88 -39.17 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.65 -44.73 92.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.235 0.541 . . . . 25.0 111.591 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.45 -30.44 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.16 -0.616 . . . . 25.0 111.077 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mtp -67.94 -38.5 82.9 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.892 -0.505 . . . . 25.0 111.187 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.55 -39.65 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.4 -22.21 65.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.767 1.395 . . . . 25.0 114.767 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.83 -25.09 63.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 118.023 0.374 . . . . 25.0 111.351 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.99 -15.17 14.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.928 0.394 . . . . 25.0 111.409 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -85.37 78.94 9.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.778 0.799 . . . . 25.0 111.6 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.52 -42.34 94.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.079 -0.964 . . . . 25.0 111.036 -177.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -81.62 -13.79 57.52 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.06 14.36 79.43 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 117.647 1.819 . . . . 25.0 117.647 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.61 -0.04 40.59 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.85 1.325 . . . . 25.0 114.548 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.08 8.3 79.01 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 122.121 -0.362 . . . . 25.0 113.216 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -137.35 167.18 22.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.407 0.623 . . . . 25.0 110.369 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.81 117.23 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.63 171.19 15.47 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 -177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -58.91 -46.18 88.52 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.3 -36.99 74.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.661 -0.65 . . . . 25.0 112.318 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.86 -34.54 77.58 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.049 -0.523 . . . . 25.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.229 -0.295 . . . . 25.0 110.788 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.2 -40.84 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -40.03 95.51 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.971 -0.456 . . . . 25.0 110.356 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 ttt -66.87 -25.81 66.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.413 0.625 . . . . 25.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.9 ttm -80.35 -37.2 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 25.0 111.424 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.4 t -95.8 -11.09 27.43 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.19 167.9 27.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.936 0.398 . . . . 25.0 110.424 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? . . . . . 0 C--O 1.239 0.506 0 N-CA-C 101.168 -3.642 . . . . 25.0 101.168 176.311 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.06 151.98 45.68 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 124.421 1.076 . . . . 25.0 109.916 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -122.31 149.56 43.57 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.662 0.268 . . . . 25.0 110.663 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -36.02 81.33 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.102 0.953 . . . . 25.0 109.132 176.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -66.58 -35.87 81.24 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.892 -0.594 . . . . 25.0 111.126 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -68.78 -35.98 77.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -48.0 82.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 25.0 109.775 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.77 -42.39 97.36 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 120.908 0.385 . . . . 25.0 111.542 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.03 -40.31 85.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.79 78.82 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.042 0.383 . . . . 25.0 110.914 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.25 -53.78 53.61 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.02 0.914 . . . . 25.0 111.658 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -74.45 -15.64 60.89 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.748 -0.66 . . . . 25.0 112.364 -175.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.35 -46.73 75.78 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.79 -0.569 . . . . 25.0 110.15 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.26 -35.72 73.97 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.102 -0.639 . . . . 25.0 109.423 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.06 69.51 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.246 -0.433 . . . . 25.0 111.026 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.88 -45.95 55.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.773 -0.579 . . . . 25.0 110.078 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -69.01 -15.11 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.366 0.603 . . . . 25.0 111.964 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.91 -39.8 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.85 -45.71 8.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.348 -0.842 . . . . 25.0 112.798 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.93 93.18 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.652 0.739 . . . . 25.0 111.5 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -81.2 -22.73 38.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.276 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -75.92 -27.61 57.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.784 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.86 23.77 71.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.176 -0.769 . . . . 25.0 111.176 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -96.22 -2.46 46.12 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.81 6.51 72.45 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 114.921 0.728 . . . . 25.0 114.921 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.3 p -135.96 152.33 50.86 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.261 0.531 . . . . 25.0 111.897 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.35 122.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -104.51 168.27 9.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.45 67.41 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -37.99 87.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.908 -0.495 . . . . 25.0 111.348 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.78 -44.25 67.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.947 0.403 . . . . 25.0 110.725 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.43 -44.25 92.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.878 0.847 . . . . 25.0 108.815 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.57 -28.93 74.11 Favored Glycine 0 CA--C 1.509 -0.307 0 CA-C-N 115.237 -0.892 . . . . 25.0 114.665 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.2 m -66.14 -41.61 90.18 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.81 -40.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.048 -0.407 . . . . 25.0 110.288 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -57.59 -43.95 85.02 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.809 -0.356 . . . . 25.0 111.472 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.63 -17.97 57.22 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -72.73 -24.23 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mt -91.73 8.94 34.66 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.639 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 4.24 90.39 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 115.436 0.934 . . . . 25.0 115.436 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -85.87 158.02 20.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.898 -0.778 . . . . 25.0 108.898 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -129.54 60.52 51.91 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 113.61 0.966 . . . . 25.0 113.61 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.93 156.46 34.52 Favored 'Trans proline' 0 C--O 1.242 0.721 0 C-N-CA 117.773 -1.018 . . . . 25.0 113.305 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -82.09 162.77 22.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 48' ' ' LEU . 26.4 pt-20 -73.2 -18.95 61.2 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 120.668 -1.27 . . . . 25.0 113.04 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.39 -37.58 56.96 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -66.25 -40.32 90.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.123 0.964 . . . . 25.0 108.714 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 45' ' ' GLU . 32.4 mt -67.19 -27.88 67.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.799 -0.637 . . . . 25.0 110.744 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -73.6 -36.47 65.52 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 119.088 -0.482 . . . . 25.0 111.645 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.26 -27.63 64.59 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.343 0.974 . . . . 25.0 110.723 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.84 -27.54 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 25.0 110.745 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -83.68 -43.53 18.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.07 -31.82 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 122.458 0.303 . . . . 25.0 110.754 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.12 -17.0 56.43 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -23.36 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -79.84 55.92 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.902 0.881 . . . . 25.0 112.782 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.6 -19.87 65.87 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.305 0.574 . . . . 25.0 110.857 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.12 -20.35 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.635 -0.711 . . . . 25.0 111.438 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.82 10.62 84.87 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 118.394 2.117 . . . . 25.0 118.394 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -79.89 0.68 30.16 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.048 1.924 . . . . 25.0 114.59 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.71 3.03 84.03 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 116.053 1.181 . . . . 25.0 116.053 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 p -140.17 165.38 27.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.76 0.78 . . . . 25.0 111.488 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -96.34 112.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 105.593 -2.003 . . . . 25.0 105.593 170.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.85 169.12 13.63 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -56.66 -47.22 99.39 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -69.41 -21.27 35.36 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 114.096 -3.469 . . . . 25.0 113.643 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -77.59 -30.1 52.33 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.53 -40.91 89.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.17 -41.08 99.18 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.762 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -66.01 -38.24 87.94 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.901 0.382 . . . . 25.0 111.192 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.4 ttt -60.18 -41.04 92.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.88 -41.51 67.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 25.0 110.565 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.17 73.97 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -64.76 -30.79 71.81 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.941 -0.474 . . . . 25.0 111.288 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -84.12 -22.65 31.0 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.278 0.231 . . . . 25.0 110.926 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 27.7 mmt -102.31 15.34 29.43 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 122.88 0.472 . . . . 25.0 110.351 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -74.93 122.72 23.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.909 -0.774 . . . . 25.0 108.909 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -62.63 152.13 36.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.647 0.737 . . . . 25.0 112.081 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -91.07 14.91 12.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.261 0.553 . . . . 25.0 110.12 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -74.76 4.14 6.83 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 p -59.57 136.15 57.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.034 0.445 . . . . 25.0 109.935 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -57.48 -14.43 5.0 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 115.296 1.591 . . . . 25.0 115.296 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.94 -40.65 73.49 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.068 -0.395 . . . . 25.0 111.719 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -33.54 67.36 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.034 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.59 -39.22 83.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 25.0 110.281 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.33 -46.31 80.75 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.209 -0.307 . . . . 25.0 110.688 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.56 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 25.0 110.648 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.5 -43.86 96.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -69.09 -15.18 63.38 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.487 1.291 . . . . 25.0 114.487 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.35 -39.65 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -92.09 -35.5 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -94.98 49.83 1.25 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.741 0.781 . . . . 25.0 110.862 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' H ' ' HD3' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -67.39 -12.94 61.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 25.0 111.581 176.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.91 -14.05 48.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 25.0 110.498 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.24 25.61 75.19 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 118.021 1.968 . . . . 25.0 118.021 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.28 -1.69 57.95 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.101 1.45 . . . . 25.0 113.926 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.47 4.22 68.34 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.912 0.725 . . . . 25.0 114.912 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.51 146.22 41.71 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.708 0.254 . . . . 25.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.85 115.05 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -92.77 161.95 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.879 -0.728 . . . . 25.0 109.309 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.69 -39.46 80.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.389 0.614 . . . . 25.0 110.095 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -30.06 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.09 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -81.03 -42.09 21.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.761 -0.2 . . . . 25.0 110.754 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.738 -0.21 . . . . 25.0 110.612 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -27.27 68.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.729 -0.388 . . . . 25.0 111.385 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -69.36 -42.96 74.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.249 -0.58 . . . . 25.0 110.066 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.92 -43.03 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 26.3 mtt -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.487 0.551 . . . . 25.0 112.487 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -63.19 -38.29 90.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.736 0.303 . . . . 25.0 110.271 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -71.4 -28.87 64.31 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.96 -0.462 . . . . 25.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.11 -24.06 47.64 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.841 0.456 . . . . 25.0 111.466 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.01 36.78 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.442 -0.408 . . . . 25.0 112.099 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.36 159.64 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.038 0.447 . . . . 25.0 110.289 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.62 64.34 0.9 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 25.0 112.023 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.1 mt -120.83 163.19 18.54 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 105.072 -2.195 . . . . 25.0 105.072 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.5 p -98.99 171.3 8.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.01 -32.89 73.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.62 -38.54 73.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.69 -38.99 93.18 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.894 0.854 . . . . 25.0 109.186 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.62 -42.02 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.6 -0.727 . . . . 25.0 109.824 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.49 -41.01 96.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.823 -0.171 . . . . 25.0 111.361 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.32 -44.07 92.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.976 0.417 . . . . 25.0 110.826 176.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttp -64.1 -40.91 97.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.236 0.541 . . . . 25.0 112.241 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.4 mm -67.13 -40.27 84.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.418 -1.265 . . . . 25.0 107.638 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -61.8 -31.07 71.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -69.1 -25.33 64.36 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.992 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -97.58 -14.08 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 25.0 111.426 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -85.76 78.86 9.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.791 0.805 . . . . 25.0 111.869 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.17 -41.44 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.34 -0.846 . . . . 25.0 111.737 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -83.36 -11.14 57.97 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.495 1.294 . . . . 25.0 114.495 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.41 18.66 75.6 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 117.07 1.588 . . . . 25.0 117.07 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.97 0.0 54.35 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.77 7.72 74.37 Favored Glycine 0 C--O 1.244 0.733 0 O-C-N 122.181 -0.325 . . . . 25.0 113.372 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -137.58 163.78 30.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.135 0.493 . . . . 25.0 110.657 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.93 116.99 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 106.881 -1.525 . . . . 25.0 106.881 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.25 162.3 28.06 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.0 -36.73 77.84 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.293 -0.88 . . . . 25.0 110.855 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.87 -45.78 90.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.273 0.559 . . . . 25.0 111.699 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.48 -34.92 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.83 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.46 -39.08 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.048 0.451 . . . . 25.0 110.706 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -74.44 -39.46 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -59.33 -47.14 86.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.017 -0.427 . . . . 25.0 111.495 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 ptm -70.56 -20.84 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 25.0 111.444 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.6 ttm -80.83 -36.85 31.01 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.9 t -138.49 9.51 2.68 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.401 2.0 . . . . 25.0 116.401 -172.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -131.92 -172.95 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.506 -0.746 . . . . 25.0 111.023 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 mttm . . . . . 0 C--O 1.241 0.636 0 N-CA-C 103.998 -2.593 . . . . 25.0 103.998 178.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 118.756 -0.64 . . . . 25.0 109.55 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 57.45 33.07 22.77 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.469 1.128 . . . . 25.0 111.096 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -91.7 153.06 19.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.381 -1.281 . . . . 25.0 110.395 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.7 147.78 41.13 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -24.26 67.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.994 -0.441 . . . . 25.0 111.77 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.55 -19.93 65.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.865 -0.522 . . . . 25.0 112.337 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -69.78 -37.93 76.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -73.8 -34.05 64.46 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.971 -0.456 . . . . 25.0 110.326 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.94 -35.5 68.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 107.916 -1.142 . . . . 25.0 107.916 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.14 86.15 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.736 -0.603 . . . . 25.0 111.39 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.4 -44.35 96.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.643 0.735 . . . . 25.0 109.645 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -69.98 -22.55 63.13 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.431 -0.793 . . . . 25.0 111.965 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -71.02 -35.19 71.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.91 -38.1 72.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.65 70.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.855 0.36 . . . . 25.0 110.967 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.83 -44.57 69.68 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -67.84 -17.84 64.63 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.146 0.425 . . . . 25.0 112.146 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.84 -23.7 67.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.328 0.585 . . . . 25.0 109.548 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -104.1 -44.43 4.99 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.754 -0.657 . . . . 25.0 110.322 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.9 82.08 8.49 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.053 0.941 . . . . 25.0 109.392 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.78 -30.34 71.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -89.04 -10.1 48.77 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 120.29 -0.564 . . . . 25.0 112.189 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.59 15.83 79.18 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 176.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -77.62 -4.93 48.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 1.268 . . . . 25.0 113.861 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.96 -1.15 60.96 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 114.151 0.42 . . . . 25.0 114.151 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -136.17 132.86 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.175 0.512 . . . . 25.0 111.71 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.6 mt -85.53 113.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 104.359 -2.46 . . . . 25.0 104.359 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -90.43 167.63 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.8 t -62.13 -28.98 70.02 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.134 0.492 . . . . 25.0 109.947 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.33 -42.38 96.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.535 0.683 . . . . 25.0 110.325 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -75.66 -35.79 60.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 25.0 111.433 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.45 -43.92 96.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.7 -35.17 89.15 Favored Glycine 0 C--O 1.217 -0.948 0 CA-C-N 115.115 -0.948 . . . . 25.0 111.998 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -63.94 -42.77 97.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.745 -0.856 . . . . 25.0 110.182 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -69.74 -38.28 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 25.0 110.257 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 mmt -64.3 -35.47 80.97 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.807 -0.558 . . . . 25.0 111.763 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -75.28 -16.59 60.43 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 t -70.77 -24.78 62.66 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 171.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.97 -14.06 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.482 -0.781 . . . . 25.0 109.619 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.78 -6.13 56.95 Favored Glycine 0 C--O 1.217 -0.928 0 CA-C-N 115.625 -0.716 . . . . 25.0 114.375 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.437 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 27.2 mm100 -64.55 141.7 58.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -174.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -122.64 69.18 33.63 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -79.3 166.24 22.66 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 118.338 -0.641 . . . . 25.0 111.772 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 p -77.51 165.68 24.03 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.35 -24.46 62.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.788 -1.195 . . . . 25.0 111.579 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.66 65.76 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.82 -28.89 69.87 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.035 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 mt -79.68 -33.35 41.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.457 -0.777 . . . . 25.0 110.768 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.08 -39.29 79.15 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.906 1.23 . . . . 25.0 110.865 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.3 mtt -67.08 -27.45 67.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.395 0.616 . . . . 25.0 110.674 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.4 mt -81.27 -45.24 20.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.99 -30.93 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.57 -17.81 56.62 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.99 -23.3 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 112.008 0.373 . . . . 25.0 112.008 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -80.34 67.78 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.967 0.889 . . . . 25.0 112.486 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.5 -25.26 67.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 25.0 113.197 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -87.81 -7.87 56.69 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.87 16.61 76.45 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 117.424 1.73 . . . . 25.0 117.424 174.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -84.61 -0.16 52.3 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.41 75.67 Favored Glycine 0 C--O 1.242 0.653 0 N-CA-C 115.792 1.077 . . . . 25.0 115.792 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -139.03 153.16 48.07 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.771 0.785 . . . . 25.0 111.411 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.8 mt -91.62 103.16 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 106.864 -1.532 . . . . 25.0 106.864 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.26 178.65 5.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -51.57 -44.35 89.46 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 117.349 2.352 . . . . 25.0 117.349 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -71.24 -25.03 22.54 Favored 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 113.023 -4.184 . . . . 25.0 113.586 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -82.2 -26.77 33.04 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.222 0.534 . . . . 25.0 109.693 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.19 -37.29 86.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 171.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.45 -41.0 96.78 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -63.9 -40.26 96.08 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.23 0.538 . . . . 25.0 110.828 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.9 ttp -61.13 -37.79 84.07 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.713 0.405 . . . . 25.0 110.538 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.3 mmt -77.58 -34.66 53.51 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.854 -0.339 . . . . 25.0 110.876 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.52 95.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -67.09 -23.61 65.87 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.778 -0.769 . . . . 25.0 111.03 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -85.81 6.2 29.14 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.5 mtt -96.48 8.66 43.54 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 173.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -108.23 -145.23 0.39 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.25 164.45 11.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 171.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -68.49 -0.74 5.36 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.488 1.662 . . . . 25.0 115.488 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -56.46 96.96 0.02 OUTLIER 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.822 0.82 . . . . 25.0 112.791 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 p -164.4 165.41 21.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.003 -1.851 . . . . 25.0 106.003 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 13.9 mp0 -66.08 -19.09 65.73 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 121.196 0.522 . . . . 25.0 110.635 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -58.08 -37.84 75.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.217 1.191 . . . . 25.0 114.217 -175.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -75.15 -33.94 61.56 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.622 -0.831 . . . . 25.0 109.154 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.7 -39.64 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.339 -0.985 . . . . 25.0 108.339 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -59.53 -41.68 90.57 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.526 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.56 -38.75 81.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.984 -0.448 . . . . 25.0 111.507 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.95 82.31 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.305 0.574 . . . . 25.0 110.072 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.64 -36.33 82.3 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.986 -0.446 . . . . 25.0 110.96 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -64.49 -19.45 65.59 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.14 -28.37 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.54 -45.84 3.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -81.32 78.03 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 25.0 111.273 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -103.36 -1.0 29.36 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.254 -0.885 . . . . 25.0 112.36 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.28 -7.01 36.57 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.46 26.42 74.55 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 116.706 1.442 . . . . 25.0 116.706 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.7 -1.42 55.2 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.731 1.266 . . . . 25.0 114.128 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 41' ' ' GLN . . . 91.68 -2.98 77.83 Favored Glycine 0 CA--C 1.509 -0.326 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -139.78 165.34 27.54 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 mt -108.35 115.03 48.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.484 -1.673 . . . . 25.0 106.484 172.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -105.46 165.93 10.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.954 -0.466 . . . . 25.0 110.629 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.58 89.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.698 0.285 . . . . 25.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.82 69.93 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.008 -0.542 . . . . 25.0 112.006 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -86.25 -41.39 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.038 0.447 . . . . 25.0 110.164 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.7 tp -65.31 -37.65 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.15 -0.344 . . . . 25.0 110.435 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -23.27 65.39 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 121.592 -0.692 . . . . 25.0 111.367 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -69.4 -42.79 74.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.53 -45.59 93.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mtp -65.68 -38.37 89.09 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.1 m -58.19 -41.52 84.12 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.038 0.447 . . . . 25.0 110.11 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.88 -26.62 60.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.747 -0.66 . . . . 25.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -33.14 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.51 -26.9 2.25 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 115.119 0.807 . . . . 25.0 115.119 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -94.49 146.37 24.14 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -126.3 75.46 1.53 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.726 0.774 . . . . 25.0 110.681 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.53 164.68 23.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.521 -1.218 . . . . 25.0 109.019 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.0 p -77.18 163.91 26.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -39.63 84.93 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -66.3 -36.37 82.77 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.82 -36.08 82.73 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.073 0.939 . . . . 25.0 109.424 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -83.27 -31.32 8.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.381 -0.827 . . . . 25.0 110.187 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -66.16 -37.63 86.11 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 109.26 -0.645 . . . . 25.0 109.26 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.38 -35.34 78.88 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.658 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -68.23 -36.58 79.73 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.928 -0.482 . . . . 25.0 111.541 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.8 mm -65.61 -40.37 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 177.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.3 -28.67 69.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -175.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -67.46 -17.05 64.55 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 111.627 0.232 . . . . 25.0 111.627 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.98 -2.06 12.94 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.904 0.383 . . . . 25.0 110.765 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.34 80.62 7.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.669 0.747 . . . . 25.0 111.106 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.86 -43.15 93.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.252 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -86.41 -9.84 55.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.389 1.255 . . . . 25.0 114.389 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.99 20.28 63.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -1.37 57.03 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.742 1.271 . . . . 25.0 114.348 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 8.29 71.65 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 121.447 -0.406 . . . . 25.0 113.766 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -141.53 169.42 17.63 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.312 -0.522 . . . . 25.0 110.186 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.4 t -100.68 120.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -81.75 173.41 12.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.1 -42.75 93.75 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.805 -0.559 . . . . 25.0 110.45 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.85 -44.14 94.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.027 0.918 . . . . 25.0 111.487 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.08 -32.61 73.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.688 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.1 -38.09 89.6 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.998 -0.546 . . . . 25.0 109.766 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.41 -42.05 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.559 -0.713 . . . . 25.0 109.356 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.257 -0.277 . . . . 25.0 110.377 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 65.6 ttp -71.52 -40.2 70.26 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 120.842 0.354 . . . . 25.0 110.986 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 28.6 ttt -68.25 -35.55 78.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.6 t -77.76 -7.59 56.78 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.368 0.604 . . . . 25.0 110.3 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.69 6.95 43.88 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.93 -0.481 . . . . 25.0 111.308 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 13.3 tttt . . . . . 0 C--O 1.249 1.027 0 O-C-N 124.497 1.123 . . . . 25.0 112.386 176.923 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -75.35 168.95 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.439 0.637 . . . . 25.0 112.546 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.1 139.0 56.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.895 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.98 136.44 55.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.673 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -102.52 165.03 11.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -65.64 -29.15 69.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.06 -0.4 . . . . 25.0 110.431 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.47 -42.7 95.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.728 0.775 . . . . 25.0 109.512 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.83 -39.93 79.72 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 115.634 -0.712 . . . . 25.0 110.5 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.13 -37.58 73.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.47 86.4 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.037 -0.414 . . . . 25.0 110.62 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.75 -39.98 93.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.209 0.528 . . . . 25.0 110.025 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -70.84 -24.1 62.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.822 -0.549 . . . . 25.0 111.515 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -69.38 -41.26 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -71.32 -36.12 71.47 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.011 -0.675 . . . . 25.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.84 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 25.0 110.046 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -65.38 -42.84 92.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.595 -0.52 . . . . 25.0 109.595 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -65.89 -20.72 66.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.538 . . . . 25.0 112.017 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.13 -40.56 94.6 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.8 -38.12 23.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.539 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.3 95.9 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.653 0.74 . . . . 25.0 110.754 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.98 -21.73 43.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -105.12 -13.25 15.78 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.759 0.651 . . . . 25.0 112.759 -175.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.84 15.92 76.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 115.896 1.118 . . . . 25.0 115.896 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 p30 -80.22 -2.18 43.8 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.74 10.36 70.02 Favored Glycine 0 C--O 1.239 0.433 0 C-N-CA 121.289 -0.482 . . . . 25.0 113.787 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -134.73 152.88 52.1 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.833 0.453 . . . . 25.0 111.934 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.78 118.48 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -87.75 164.74 15.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -35.84 72.31 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.514 0.673 . . . . 25.0 109.585 174.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.04 -44.43 97.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 25.0 111.441 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -70.01 -41.66 74.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.75 0.309 . . . . 25.0 111.358 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.16 -45.21 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.779 0.8 . . . . 25.0 109.144 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -32.7 85.09 Favored Glycine 0 C--O 1.219 -0.789 0 CA-C-N 114.947 -1.024 . . . . 25.0 112.999 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.7 m -61.84 -43.5 98.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.693 0.746 . . . . 25.0 109.43 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.41 -43.96 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.498 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -62.97 -40.6 98.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.921 -0.487 . . . . 25.0 111.877 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -69.99 -26.24 63.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.67 -0.644 . . . . 25.0 111.236 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 t -71.73 -27.36 62.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.03 3.58 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.414 0.686 . . . . 25.0 110.418 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.98 89.08 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 114.825 0.69 . . . . 25.0 114.825 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -78.72 151.57 32.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -115.09 46.28 0.42 Allowed Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 118.886 2.921 . . . . 25.0 118.886 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.16 164.62 19.54 Favored 'Trans proline' 0 C--O 1.246 0.901 0 C-N-CA 116.7 -1.733 . . . . 25.0 113.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 t -100.22 162.14 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 173.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.77 -29.73 70.72 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.07 -31.71 70.66 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.19 -34.61 78.43 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 122.587 1.184 . . . . 25.0 108.62 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.3 mt -76.69 -28.35 55.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.28 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.4 -37.77 86.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 119.208 -0.425 . . . . 25.0 111.379 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.78 -29.01 65.1 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.282 0.946 . . . . 25.0 111.098 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.3 mtt -68.26 -29.9 68.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.123 0.487 . . . . 25.0 110.326 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.1 mt -77.06 -48.07 25.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.2 mt -54.89 -33.42 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.02 -20.07 55.95 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.037 1.125 . . . . 25.0 114.037 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.33 -7.02 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.41 59.09 4.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.761 0.791 . . . . 25.0 111.962 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -17.32 63.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -87.52 -10.79 50.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.88 14.54 75.81 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.218 0.847 . . . . 25.0 115.218 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -174.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.9 10.64 85.43 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 116.503 1.361 . . . . 25.0 116.503 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.8 p -139.94 153.22 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.778 0.789 . . . . 25.0 110.672 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.14 104.06 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 106.822 -1.547 . . . . 25.0 106.822 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.59 165.19 25.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.03 -45.02 99.8 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 114.164 1.172 . . . . 25.0 114.164 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.02 -24.23 67.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 114.307 -3.329 . . . . 25.0 114.707 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.64 -31.01 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.659 -0.651 . . . . 25.0 109.458 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -66.38 -39.28 88.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.01 -33.99 76.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.496 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 m -69.78 -34.76 74.18 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.067 -0.396 . . . . 25.0 110.67 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.8 ttm -64.64 -38.06 89.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 tpp -68.85 -38.2 79.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.002 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.16 86.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.873 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -67.86 -29.19 68.26 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 119.18 -1.008 . . . . 25.0 109.975 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -78.21 -0.54 28.89 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.122 0.786 . . . . 25.0 113.122 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 99.3 mtp -67.79 -25.02 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.927 -0.483 . . . . 25.0 110.071 175.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.7 124.31 35.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 104.494 -2.41 . . . . 25.0 104.494 170.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.08 -18.2 64.15 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -170.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 t -71.64 -9.46 58.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.7 10.65 38.48 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.6 p -123.5 160.64 26.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 123.049 1.404 . . . . 25.0 114.602 -174.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -69.92 -17.89 63.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 112.764 -2.016 . . . . 25.0 111.661 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.71 -27.97 13.48 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -64.29 -45.06 89.67 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.737 0.699 . . . . 25.0 110.645 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt -66.3 -37.3 79.39 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.659 0 CA-C-O 123.681 1.705 . . . . 25.0 109.514 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -62.18 -40.54 96.36 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 120.656 -1.278 . . . . 25.0 111.637 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.12 -32.31 64.85 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.806 -1.184 . . . . 25.0 110.55 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.27 83.61 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.858 0.837 . . . . 25.0 108.78 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -69.41 -38.53 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.358 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.08 -16.67 62.26 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.45 -37.43 69.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.38 -46.5 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -82.57 81.42 8.37 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.691 0.758 . . . . 25.0 109.14 177.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.3 -35.11 77.34 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.77 -24.66 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.998 -0.281 . . . . 25.0 111.578 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.43 21.32 64.76 Favored Glycine 0 C--O 1.228 -0.277 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -75.87 0.88 16.64 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.39 1.095 . . . . 25.0 113.698 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.32 6.99 58.5 Favored Glycine 0 C--O 1.235 0.17 0 C-N-CA 121.512 -0.375 . . . . 25.0 112.831 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -141.56 136.36 31.02 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.871 0.367 . . . . 25.0 111.728 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.5 106.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 105.752 -1.944 . . . . 25.0 105.752 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.7 p -75.78 162.51 28.12 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.382 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.92 74.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.88 92.79 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.352 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -68.33 -41.77 80.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.262 -0.274 . . . . 25.0 110.528 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.53 -43.9 92.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.96 79.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.649 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.05 -45.98 89.67 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.206 -0.308 . . . . 25.0 111.02 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.26 -46.0 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 121.174 0.511 . . . . 25.0 109.744 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.5 mtt -63.81 -39.12 93.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.1 m -61.13 -40.49 94.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.476 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -72.03 -24.49 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.82 0.343 . . . . 25.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -77.65 -14.43 59.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 25.0 110.489 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.25 20.8 56.47 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 121.262 -0.495 . . . . 25.0 111.934 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.23 158.66 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.352 0.596 . . . . 25.0 110.257 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -124.84 37.96 4.29 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.717 0.77 . . . . 25.0 111.198 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.07 155.26 17.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.942 -1.481 . . . . 25.0 107.877 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -87.11 165.44 15.76 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.28 -37.02 76.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 25.0 110.637 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -70.53 -33.48 71.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.49 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.78 -34.87 78.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 25.0 110.545 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.52 -40.3 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 108.804 -0.813 . . . . 25.0 108.804 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.91 -37.93 89.27 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.713 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.45 -37.52 78.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.985 0.421 . . . . 25.0 110.781 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.58 81.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.98 -0.45 . . . . 25.0 111.005 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.32 -42.15 87.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -57.1 -32.27 66.13 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.12 -13.07 59.49 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.34 -0.91 5.68 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.85 76.81 9.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.787 0.803 . . . . 25.0 111.564 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.9 -42.28 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.853 -175.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -88.64 -2.57 58.66 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.51 21.79 78.68 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 116.62 1.408 . . . . 25.0 116.62 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -87.53 2.73 49.91 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.029 1.492 . . . . 25.0 115.029 -176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.49 10.63 81.56 Favored Glycine 0 C--O 1.243 0.697 0 CA-C-O 121.537 0.521 . . . . 25.0 113.307 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.15 166.91 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.72 -0.474 . . . . 25.0 109.72 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.92 116.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 172.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -74.71 168.07 20.56 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.557 -1.645 . . . . 25.0 106.557 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.14 -45.14 87.9 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.867 -0.521 . . . . 25.0 112.043 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -41.17 87.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 25.0 111.819 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.32 -34.92 77.55 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.503 -0.771 . . . . 25.0 110.298 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -65.54 -38.76 90.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.217 -0.302 . . . . 25.0 111.585 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.46 -38.67 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -66.25 -42.63 88.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.9 -0.5 . . . . 25.0 110.184 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 ttt -61.08 -31.33 71.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.682 0.393 . . . . 25.0 111.558 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.4 ttm -65.06 -20.09 66.32 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 10.3 t -125.46 18.43 8.17 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.226 0.536 . . . . 25.0 110.846 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.85 162.93 13.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.979 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-N 114.887 -1.051 . . . . 25.0 112.299 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 C--O 1.234 0.256 0 N-CA-C 111.728 0.27 . . . . 25.0 111.728 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -75.14 -38.73 60.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.29 -38.56 68.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.48 -30.09 70.39 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.278 -0.264 . . . . 25.0 110.354 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -67.11 -45.71 76.36 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 122.001 -0.437 . . . . 25.0 109.969 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.7 m -67.77 -25.71 65.75 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.894 0.378 . . . . 25.0 111.829 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.61 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.208 -0.933 . . . . 25.0 109.749 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -38.95 18.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 25.0 110.98 177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -87.05 93.87 9.48 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.533 0.683 . . . . 25.0 111.082 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -71.71 -17.66 62.21 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -86.88 -28.17 22.98 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.441 0.638 . . . . 25.0 109.356 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.21 17.99 79.7 Favored Glycine 0 C--O 1.227 -0.342 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.73 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.04 -6.88 58.57 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.58 7.27 54.03 Favored Glycine 0 C--O 1.239 0.413 0 C-N-CA 121.213 -0.518 . . . . 25.0 114.053 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.07 155.75 50.21 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.6 mt -118.43 128.01 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.1 p -106.83 170.17 8.1 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -62.38 -27.22 68.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.511 -0.743 . . . . 25.0 110.959 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -65.35 -39.79 92.79 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 121.295 -0.878 . . . . 25.0 109.805 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.52 -33.52 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -47.17 87.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.24 -30.78 77.39 Favored Glycine 0 CA--C 1.511 -0.209 0 CA-C-N 115.737 -0.665 . . . . 25.0 113.711 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.2 m -64.68 -46.4 82.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.1 -41.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.5 mmt -57.92 -50.03 74.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -72.82 -17.55 61.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.817 -0.552 . . . . 25.0 112.09 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -23.81 58.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 173.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -91.08 -0.17 57.67 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.63 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.14 1.81 88.33 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 121.249 -0.501 . . . . 25.0 113.598 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -82.46 133.48 35.21 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.836 -0.802 . . . . 25.0 110.995 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -120.98 57.31 6.04 Favored Pre-proline 0 CA--C 1.561 1.397 0 N-CA-C 114.667 1.358 . . . . 25.0 114.667 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -74.59 172.79 15.49 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 117.437 -1.242 . . . . 25.0 111.497 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -75.59 162.71 28.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 25.0 109.862 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.01 -31.52 72.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.062 0.458 . . . . 25.0 110.097 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.5 77.27 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.052 -0.405 . . . . 25.0 110.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -65.16 -41.74 94.42 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.18 -32.55 74.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.067 -0.396 . . . . 25.0 111.09 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -70.31 -42.77 71.55 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.229 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -31.32 71.65 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 122.189 -0.319 . . . . 25.0 110.727 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.2 mtp -64.54 -25.34 67.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.815 -0.553 . . . . 25.0 111.085 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.06 -47.7 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.37 -30.31 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.189 0.596 . . . . 25.0 111.531 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -29.49 41.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.924 0.489 . . . . 25.0 112.196 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.93 -29.53 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.2 53.14 1.69 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.888 0.852 . . . . 25.0 112.227 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.48 66.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.091 -0.959 . . . . 25.0 110.833 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.68 -17.06 56.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 122.766 0.427 . . . . 25.0 111.734 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.06 12.9 84.22 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 117.649 1.82 . . . . 25.0 117.649 173.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -3.36 48.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 119.617 1.709 . . . . 25.0 113.555 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.74 -2.91 77.45 Favored Glycine 0 C--O 1.24 0.501 0 N-CA-C 115.935 1.134 . . . . 25.0 115.935 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.6 p -136.87 163.52 30.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 119.076 1.438 . . . . 25.0 112.835 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -104.97 108.74 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 104.836 -2.283 . . . . 25.0 104.836 173.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -87.28 177.98 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -55.54 -43.67 99.26 Favored Pre-proline 0 CA--C 1.559 1.296 0 N-CA-C 115.448 1.647 . . . . 25.0 115.448 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -64.87 -28.81 58.64 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 114.497 -3.202 . . . . 25.0 113.675 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.47 -24.3 56.92 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.75 -37.04 76.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.14 -37.3 86.98 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -67.0 -36.48 82.26 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.609 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 C--O 1.22 -0.481 0 O-C-N 121.901 -0.499 . . . . 25.0 109.89 179.154 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.2 mt . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -66.32 -39.77 89.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.663 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.32 -47.98 77.33 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.711 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.77 83.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.056 0.455 . . . . 25.0 110.358 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -61.84 -45.04 95.51 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -71.65 -17.23 62.26 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.96 -41.01 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.192 -1.04 . . . . 25.0 108.192 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -83.32 -40.53 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.962 -0.461 . . . . 25.0 112.123 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -80.07 79.95 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.42 1.105 . . . . 25.0 109.562 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -70.96 -29.45 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.389 1.255 . . . . 25.0 114.389 -172.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -93.31 -8.2 42.71 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.413 0.551 . . . . 25.0 112.02 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.48 20.02 77.36 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 116.925 1.53 . . . . 25.0 116.925 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -84.41 4.45 31.46 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.863 1.801 . . . . 25.0 115.863 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.77 4.62 67.3 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.824 -0.703 . . . . 25.0 114.708 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -136.76 143.54 43.29 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -101.52 111.1 30.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 p -82.37 159.74 22.96 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.61 72.08 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.72 85.21 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.077 0.465 . . . . 25.0 111.729 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.95 -40.86 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.977 -0.379 . . . . 25.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -42.79 97.07 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -62.75 -31.15 72.04 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 116.376 -0.375 . . . . 25.0 111.28 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -63.14 -45.03 93.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.58 -0.848 . . . . 25.0 108.957 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.57 -44.3 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -39.55 94.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.049 0.388 . . . . 25.0 112.049 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.67 -39.04 93.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.233 0.54 . . . . 25.0 109.603 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.56 -24.07 61.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.431 -0.349 . . . . 25.0 111.495 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.95 -21.03 44.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.903 0.382 . . . . 25.0 110.965 176.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.95 7.1 53.44 Favored Glycine 0 C--O 1.238 0.388 0 CA-C-N 115.571 -0.741 . . . . 25.0 112.584 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.35 138.16 57.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -121.35 63.98 0.89 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 122.165 0.983 . . . . 25.0 109.662 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.09 161.11 14.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.767 -1.56 . . . . 25.0 109.247 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 168.99 12.99 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.28 -30.25 71.09 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 120.534 -0.466 . . . . 25.0 109.787 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.49 -32.73 70.36 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 122.699 0.4 . . . . 25.0 111.102 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.19 -33.07 65.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.86 -36.86 59.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.978 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -62.41 -44.25 96.87 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' HD2' ' A' ' 126' ' ' ARG . 18.5 tp10 -58.63 -39.47 80.61 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.401 -0.812 . . . . 25.0 112.239 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 42.3 ttm -65.67 -41.55 92.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.616 0.722 . . . . 25.0 111.655 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -69.82 -34.36 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.803 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.473 ' HD2' ' HA ' ' A' ' 123' ' ' GLU . 50.9 mtt180 -58.15 -29.71 65.78 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.691 0.997 . . . . 25.0 113.691 -176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.87 -23.86 66.06 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.383 0.611 . . . . 25.0 111.575 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.65 -20.58 13.42 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.168 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.01 76.65 8.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -172.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.8 -41.99 88.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 25.0 111.59 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.33 -8.99 58.19 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.0 19.6 67.0 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 116.575 1.39 . . . . 25.0 116.575 174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.72 2.52 54.72 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.437 1.643 . . . . 25.0 115.437 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.9 9.05 86.77 Favored Glycine 0 C--O 1.241 0.547 0 C-N-CA 121.245 -0.503 . . . . 25.0 114.197 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -133.94 167.75 20.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.18 116.02 49.05 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.08 168.32 20.26 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -60.76 -43.98 97.32 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 118.493 0.588 . . . . 25.0 111.391 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.1 -39.37 93.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.827 0.822 . . . . 25.0 110.874 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.17 -28.91 67.69 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.164 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.49 -32.66 72.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.77 -41.35 90.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -66.31 -40.7 90.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.933 -0.48 . . . . 25.0 110.678 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.9 ttt -60.08 -42.16 94.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.13 -0.356 . . . . 25.0 111.173 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.1 ttm . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.125 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--O 1.218 -0.584 0 CA-C-O 120.526 0.203 . . . . 25.0 110.682 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -69.22 -40.45 77.96 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.255 -0.278 . . . . 25.0 110.396 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -68.61 -39.36 80.88 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.331 -0.548 . . . . 25.0 109.936 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.65 -34.72 78.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.681 0.277 . . . . 25.0 110.714 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -69.5 -43.94 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.4 t -65.92 -20.56 66.26 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.062 0.458 . . . . 25.0 111.62 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.48 -38.59 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -89.08 -40.99 12.57 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.53 89.39 3.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.953 0.882 . . . . 25.0 110.722 -178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -76.15 -20.32 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -108.5 -5.45 16.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.63 19.99 77.17 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 116.183 1.233 . . . . 25.0 116.183 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -81.91 0.22 40.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.639 0.978 . . . . 25.0 113.639 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 3.66 71.92 Favored Glycine 0 CA--C 1.519 0.318 0 N-CA-C 114.844 0.698 . . . . 25.0 114.844 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -133.4 156.76 47.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.329 0.565 . . . . 25.0 111.796 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -112.88 116.22 52.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.5 p -91.9 166.54 12.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 p -60.82 -32.86 72.22 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -58.99 -44.12 91.55 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.853 0.835 . . . . 25.0 110.503 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.0 -35.81 56.85 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.854 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.62 -45.79 92.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.27 76.67 Favored Glycine 0 C--O 1.221 -0.678 0 CA-C-N 115.647 -0.706 . . . . 25.0 113.418 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.0 m -63.51 -40.55 97.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.601 0.7 . . . . 25.0 109.743 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.46 -43.33 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.82 -0.437 . . . . 25.0 109.82 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.65 -40.52 97.07 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -74.08 -18.73 60.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.335 -0.853 . . . . 25.0 112.015 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -74.86 -20.49 59.72 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.27 9.35 34.27 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.74 4.04 90.32 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 115.011 0.764 . . . . 25.0 115.011 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -82.66 148.9 27.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.503 0.652 . . . . 25.0 110.892 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -123.04 66.61 30.87 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.841 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.1 163.11 39.75 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 117.897 -0.935 . . . . 25.0 112.031 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.2 p -80.72 165.27 22.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -63.47 -31.17 72.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.42 -41.57 80.18 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.539 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.55 -38.22 90.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.236 1.017 . . . . 25.0 109.924 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.33 -27.74 65.63 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.555 -0.716 . . . . 25.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.41 -48.22 29.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 119.59 -0.243 . . . . 25.0 111.196 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.16 -27.79 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.7 mtt -67.91 -24.83 65.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.845 -0.535 . . . . 25.0 111.496 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -44.95 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.34 -30.59 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 117.714 0.233 . . . . 25.0 111.183 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.0 -30.31 46.77 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.496 0.925 . . . . 25.0 113.496 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -4.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 -176.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.97 62.09 4.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.875 0.845 . . . . 25.0 111.8 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.2 68.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -92.11 -3.72 55.31 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.56 18.48 71.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.093 1.197 . . . . 25.0 116.093 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -84.05 -0.76 53.01 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.953 1.377 . . . . 25.0 114.652 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.15 0.84 80.02 Favored Glycine 0 C--O 1.239 0.413 0 N-CA-C 116.595 1.398 . . . . 25.0 116.595 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.2 p -135.31 159.58 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.949 0.874 . . . . 25.0 111.378 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -90.52 115.3 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -93.46 168.99 10.69 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 -177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.89 -48.21 92.31 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 115.467 1.654 . . . . 25.0 115.467 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.83 -23.53 22.24 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 113.726 -3.716 . . . . 25.0 114.296 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.88 -34.14 66.5 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -64.65 -39.75 94.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.339 0.59 . . . . 25.0 109.722 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.72 -37.59 86.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.072 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -66.4 -33.57 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.161 -0.337 . . . . 25.0 111.162 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.1 ttm . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 176.804 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -65.2 -39.43 92.81 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 122.054 -0.404 . . . . 25.0 111.382 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -70.03 -38.42 75.88 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.894 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.25 79.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.846 0.355 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.72 -38.85 79.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.59 0.234 . . . . 25.0 110.402 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -69.66 -15.05 63.11 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.666 1.358 . . . . 25.0 114.666 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.0 t -66.78 -35.92 75.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 107.067 -1.457 . . . . 25.0 107.067 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.03 -54.01 4.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.356 -0.838 . . . . 25.0 109.487 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -81.4 76.94 8.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.868 0.842 . . . . 25.0 110.34 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -71.39 -14.28 62.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.403 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -75.6 -25.42 56.97 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.3 76.91 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.431 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -91.57 2.02 56.74 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.21 1.189 . . . . 25.0 114.21 -174.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.44 5.69 65.0 Favored Glycine 0 C--O 1.235 0.176 0 N-CA-C 114.322 0.489 . . . . 25.0 114.322 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -140.28 133.88 30.21 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.95 0.375 . . . . 25.0 111.672 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -97.98 118.11 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 173.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -89.87 168.37 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.13 -0.322 . . . . 25.0 110.13 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.4 79.29 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.164 -0.335 . . . . 25.0 110.4 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.04 82.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.625 0.726 . . . . 25.0 111.229 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -75.42 -37.24 60.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.86 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.44 -43.72 84.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -58.85 -32.22 69.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.3 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -61.32 -45.72 93.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.988 -0.445 . . . . 25.0 110.12 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.47 -40.59 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 25.0 110.225 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -35.66 77.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.238 0.542 . . . . 25.0 112.134 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 m -63.04 -38.8 92.65 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -72.48 -26.13 61.68 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.19 -0.319 . . . . 25.0 111.457 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.31 -20.17 57.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.815 0.34 . . . . 25.0 110.442 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.47 16.85 51.75 Favored Glycine 0 C--O 1.238 0.394 0 CA-C-N 116.042 -0.526 . . . . 25.0 113.356 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -69.91 159.66 33.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.733 0.778 . . . . 25.0 112.114 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -129.6 56.91 1.69 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.273 -0.876 . . . . 25.0 111.398 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.61 162.59 12.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.317 -0.856 . . . . 25.0 108.844 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -88.21 166.52 14.3 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.95 -30.74 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.52 0.676 . . . . 25.0 109.663 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -66.59 -38.85 87.87 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.162 -0.927 . . . . 25.0 111.769 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.68 -37.05 81.8 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.372 0.606 . . . . 25.0 109.718 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.91 -34.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.51 -39.34 88.6 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.958 -0.464 . . . . 25.0 110.037 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.85 -33.85 76.98 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.941 -0.704 . . . . 25.0 110.911 174.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.1 mtp -67.32 -34.5 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.728 -0.607 . . . . 25.0 111.729 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.26 -38.82 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -61.07 -27.26 68.23 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.03 -30.15 65.9 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.699 0.259 . . . . 25.0 111.699 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -112.34 -6.03 14.08 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -83.93 79.3 9.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.052 0.929 . . . . 25.0 111.503 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -41.25 87.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.138 -0.937 . . . . 25.0 112.193 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -11.0 52.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.92 21.11 59.89 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 117.666 1.826 . . . . 25.0 117.666 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 -0.29 55.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.862 1.331 . . . . 25.0 114.483 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.89 6.75 75.5 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.454 -0.403 . . . . 25.0 113.938 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -139.86 171.44 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.15 117.27 50.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.83 167.79 20.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.28 -43.88 92.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.882 -0.511 . . . . 25.0 111.906 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -64.11 -41.14 97.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.347 0.594 . . . . 25.0 111.147 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.33 -35.59 81.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.62 -40.07 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.13 -0.357 . . . . 25.0 110.759 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.97 -38.69 78.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.05 -41.64 99.53 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.719 -0.613 . . . . 25.0 110.305 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.2 ttp -61.52 -36.38 80.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 25.0 110.498 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.601 0.238 . . . . 25.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.03 -34.68 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.97 -37.99 75.93 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.815 -0.754 . . . . 25.0 109.53 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.04 79.65 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.179 -0.325 . . . . 25.0 110.667 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -66.19 -43.14 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.199 -0.313 . . . . 25.0 110.234 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -65.5 -25.28 67.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.452 . . . . 25.0 111.348 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.66 -27.39 66.82 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.084 -0.385 . . . . 25.0 110.719 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -92.5 -32.19 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.546 0.339 . . . . 25.0 111.468 174.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -79.39 78.33 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.014 0.911 . . . . 25.0 109.33 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.78 -23.92 67.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 -173.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -103.79 -8.45 19.79 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.742 1.016 . . . . 25.0 113.742 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.98 14.12 82.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 118.024 1.969 . . . . 25.0 118.024 174.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -82.41 1.06 39.16 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.72 69.03 Favored Glycine 0 C--O 1.238 0.384 0 N-CA-C 115.279 0.872 . . . . 25.0 115.279 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.4 p -135.84 155.84 49.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.518 0.659 . . . . 25.0 110.003 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt -111.28 116.1 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -100.93 168.89 9.33 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.254 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -34.04 67.51 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.621 -0.675 . . . . 25.0 112.251 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 25.0 110.305 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.92 -40.04 63.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.995 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.84 -43.99 97.73 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.05 82.91 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 115.344 -0.844 . . . . 25.0 112.779 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.5 m -64.83 -45.0 88.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.22 -42.67 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 122.247 -0.283 . . . . 25.0 110.505 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -60.06 -43.0 95.74 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.721 -0.391 . . . . 25.0 111.377 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.19 -21.26 59.9 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.404 -0.81 . . . . 25.0 112.249 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -71.36 -28.12 63.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.79 7.64 26.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.891 -0.595 . . . . 25.0 110.378 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.47 87.89 Favored Glycine 0 C--O 1.225 -0.454 0 N-CA-C 114.668 0.627 . . . . 25.0 114.668 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -80.74 160.15 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.987 -0.714 . . . . 25.0 110.381 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.96 68.16 62.97 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -72.33 157.6 53.12 Favored 'Trans proline' 0 CA--C 1.512 -0.586 0 C-N-CA 117.294 -1.337 . . . . 25.0 113.217 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.6 p -81.77 163.98 22.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -68.61 -28.41 66.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.213 -0.929 . . . . 25.0 109.582 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.09 80.38 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.157 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -62.02 -44.06 97.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.117 0.96 . . . . 25.0 109.512 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.13 -30.04 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.574 . . . . 25.0 110.769 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -73.83 -44.91 54.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 118.988 -0.53 . . . . 25.0 111.344 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.12 -29.76 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.466 1.03 . . . . 25.0 111.648 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.0 mtp -64.72 -26.44 68.37 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.431 -0.508 . . . . 25.0 110.942 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.1 -47.92 16.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.274 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.24 -28.43 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 122.899 0.48 . . . . 25.0 111.806 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.98 -27.99 34.94 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.807 1.04 . . . . 25.0 113.807 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.37 -11.58 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 114.38 1.252 . . . . 25.0 114.38 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.54 51.86 1.75 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.16 64.18 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.097 0.475 . . . . 25.0 111.155 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -79.9 -19.28 48.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.738 0.815 . . . . 25.0 111.713 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 17.32 78.03 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -4.25 58.79 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.917 1.359 . . . . 25.0 113.663 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.31 7.16 87.04 Favored Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.46 1.344 . . . . 25.0 116.46 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.4 p -137.14 154.2 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.738 0.769 . . . . 25.0 111.066 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.6 mt -87.19 114.55 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.347 -1.723 . . . . 25.0 106.347 173.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -87.89 173.14 9.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.843 -1.169 . . . . 25.0 107.843 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.27 -49.69 92.48 Favored Pre-proline 0 CA--C 1.559 1.312 0 N-CA-C 115.036 1.495 . . . . 25.0 115.036 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.4 -21.74 30.12 Favored 'Trans proline' 0 C--N 1.357 0.994 1 C-N-CA 112.34 -4.64 . . . . 25.0 113.397 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.02 -32.43 63.36 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.841 -0.537 . . . . 25.0 109.982 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -66.08 -40.83 91.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.18 -37.48 85.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.637 -0.71 . . . . 25.0 110.24 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -65.22 -41.13 94.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.303 0.573 . . . . 25.0 110.077 177.357 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -63.76 -41.27 98.02 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.211 -0.306 . . . . 25.0 110.731 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.99 -41.34 77.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.232 -0.587 . . . . 25.0 110.141 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.41 80.09 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.969 0.414 . . . . 25.0 111.834 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.22 -42.01 94.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -67.69 -21.4 65.33 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.752 1.019 . . . . 25.0 113.752 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.77 -41.58 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -80.47 -31.78 37.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.213 -0.304 . . . . 25.0 111.366 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.49 56.95 3.79 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.553 1.168 . . . . 25.0 109.223 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -64.06 -23.94 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 25.0 112.981 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -85.73 -7.42 58.79 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.22 0.464 . . . . 25.0 112.066 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.46 13.34 82.99 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 118.234 2.054 . . . . 25.0 118.234 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -87.62 1.67 53.03 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.549 1.675 . . . . 25.0 115.377 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.0 5.08 68.38 Favored Glycine 0 C--O 1.227 -0.311 0 N-CA-C 115.955 1.142 . . . . 25.0 115.955 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.11 152.2 45.93 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.9 mt -105.63 110.6 31.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.0 p -85.38 163.34 18.6 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.577 -0.449 . . . . 25.0 109.798 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.89 77.51 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.229 0.538 . . . . 25.0 109.606 173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.92 -32.16 73.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.807 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -79.5 -41.32 27.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.667 -0.242 . . . . 25.0 110.736 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.2 -47.86 82.58 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.967 -0.693 . . . . 25.0 109.327 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -27.9 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.571 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -66.61 -47.18 73.47 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.486 -0.759 . . . . 25.0 109.77 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -41.3 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.019 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.8 -38.47 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.372 -0.205 . . . . 25.0 111.502 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.6 m -63.9 -37.29 86.86 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.114 -0.366 . . . . 25.0 110.117 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.39 -22.04 62.8 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.002 -0.436 . . . . 25.0 110.717 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 mt -87.2 -7.22 58.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.605 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.49 65.21 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 115.264 0.866 . . . . 25.0 115.264 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.27 160.17 31.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 25.0 111.675 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -127.24 49.15 2.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.178 0.513 . . . . 25.0 111.906 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.19 163.48 25.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.384 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 79.6 p -95.55 168.73 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -29.67 69.25 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.085 -0.646 . . . . 25.0 110.436 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.51 -33.13 62.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 119.77 -0.157 . . . . 25.0 111.408 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.23 -38.99 91.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.99 -42.7 77.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 25.0 109.639 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.8 -47.99 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.12 -34.07 77.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.587 -0.696 . . . . 25.0 112.64 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -70.31 -34.43 72.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.829 -0.544 . . . . 25.0 111.98 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.4 mm -67.13 -37.46 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.28 -1.007 . . . . 25.0 108.28 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.92 -27.92 67.16 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.528 0.204 . . . . 25.0 111.299 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -109.05 -18.65 13.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -79.37 78.74 5.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.934 0.873 . . . . 25.0 113.11 -173.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.08 -42.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.117 -0.947 . . . . 25.0 111.719 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -85.38 -3.6 58.89 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.02 20.77 79.68 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 117.189 1.636 . . . . 25.0 117.189 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.23 -0.1 56.19 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.133 1.531 . . . . 25.0 115.133 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.06 75.53 Favored Glycine 0 C--O 1.245 0.823 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.112 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -138.44 168.43 19.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 25.0 109.775 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -103.79 120.65 54.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -81.94 169.62 16.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.534 -2.024 . . . . 25.0 105.534 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.18 -46.89 88.18 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -61.79 -40.13 94.13 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.582 0.706 . . . . 25.0 111.255 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -35.29 80.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.224 -0.898 . . . . 25.0 111.478 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -67.18 -40.63 86.58 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.709 0.29 . . . . 25.0 110.376 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.6 -42.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -63.35 -42.22 98.89 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.536 -0.102 . . . . 25.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.3 ttt -60.4 -37.12 79.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.958 0.408 . . . . 25.0 111.126 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.2 ttm . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -179.223 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--O 1.216 -0.68 0 N-CA-C 111.362 0.134 . . . . 25.0 111.362 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -73.07 -42.25 63.25 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.047 -0.408 . . . . 25.0 110.353 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.87 -37.82 73.08 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.64 74.34 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.107 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -61.59 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.8 t -64.56 -33.54 76.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.281 0.562 . . . . 25.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -37.09 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 25.0 110.301 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -83.61 -35.76 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.37 92.81 5.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.761 0.791 . . . . 25.0 110.796 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.09 -21.82 61.44 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -171.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -116.64 0.16 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.0 24.56 75.71 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 115.463 0.945 . . . . 25.0 115.463 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -83.0 -5.36 59.07 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.98 74.84 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 114.572 0.589 . . . . 25.0 114.572 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.1 p -137.43 154.06 50.02 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 117.265 0.532 . . . . 25.0 110.893 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.4 mt -116.9 122.55 70.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -90.79 167.43 12.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -61.62 -27.83 68.94 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.228 0.537 . . . . 25.0 110.773 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -71.98 -41.2 67.95 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.71 -0.619 . . . . 25.0 110.231 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -67.23 -42.08 84.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.13 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.64 -49.57 77.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.364 0.602 . . . . 25.0 110.199 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -33.08 86.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 115.871 -0.604 . . . . 25.0 113.415 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.8 m -64.59 -45.33 87.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.231 -0.57 . . . . 25.0 109.779 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.04 -39.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.651 -0.419 . . . . 25.0 110.893 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.28 -43.54 88.06 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.02 -0.425 . . . . 25.0 110.015 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -73.68 -22.62 59.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.032 0.752 . . . . 25.0 113.032 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -72.39 -29.13 63.48 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.27 -1.41 44.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.716 0.807 . . . . 25.0 110.625 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.27 3.98 81.49 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-N 116.445 -0.343 . . . . 25.0 113.749 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -78.65 147.99 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.611 0.705 . . . . 25.0 109.396 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -117.17 57.18 1.91 Allowed Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.04 160.43 42.88 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 115.907 -2.262 . . . . 25.0 113.065 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -77.84 163.22 26.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -72.73 -18.94 61.47 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.398 -0.814 . . . . 25.0 110.17 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.56 68.26 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 122.516 -0.115 . . . . 25.0 110.834 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.24 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.079 0.942 . . . . 25.0 108.666 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.64 -23.48 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -79.54 -49.78 11.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 119.315 -0.374 . . . . 25.0 111.022 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -69.56 -28.61 66.13 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.881 0.764 . . . . 25.0 112.274 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mtp -61.24 -33.03 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 25.0 110.638 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -85.37 -46.23 17.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-N 116.224 -0.444 . . . . 25.0 110.993 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.73 -33.38 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 117.777 0.262 . . . . 25.0 111.509 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.99 -21.31 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.317 1.228 . . . . 25.0 114.317 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.93 -16.79 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 -177.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -84.28 51.53 2.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.399 0.68 . . . . 25.0 111.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -20.21 66.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.276 0.56 . . . . 25.0 111.15 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.394 0.678 . . . . 25.0 110.962 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.35 14.41 81.97 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 117.64 1.816 . . . . 25.0 117.64 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -78.79 -1.62 35.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.517 1.658 . . . . 25.0 114.088 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.46 4.08 90.28 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 115.265 0.866 . . . . 25.0 115.265 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.8 p -136.06 161.49 35.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.266 0.533 . . . . 25.0 110.395 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.7 mt -90.38 116.78 32.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.725 -1.583 . . . . 25.0 106.725 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.93 173.37 8.26 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.45 -51.27 79.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 25.0 115.833 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.02 -21.29 24.35 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 113.366 -3.956 . . . . 25.0 113.536 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.37 -34.44 65.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -68.2 -36.94 80.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.809 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -46.15 89.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 m -65.91 -42.96 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 25.0 111.176 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.8 ttp . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.304 0.573 . . . . 25.0 110.397 -179.583 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.401 HG21 HG22 ' A' ' 142' ' ' VAL . 71.0 mt . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -65.28 -39.06 92.08 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.836 -0.54 . . . . 25.0 112.261 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.18 -43.35 91.97 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.735 -0.786 . . . . 25.0 109.856 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.02 89.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.361 0.601 . . . . 25.0 111.235 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.47 -42.46 98.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.346 0.593 . . . . 25.0 110.683 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -69.1 -13.77 62.62 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 114.484 1.29 . . . . 25.0 114.484 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.67 -38.57 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 174.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -89.89 -44.37 9.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.232 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.15 64.08 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.12 0.962 . . . . 25.0 108.658 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -60.03 -31.23 69.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.713 -1.13 . . . . 25.0 112.312 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.0 -18.82 49.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.47 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.14 24.96 65.01 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 117.733 1.853 . . . . 25.0 117.733 172.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.52 -0.08 56.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.649 1.352 . . . . 25.0 114.649 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.45 2.69 61.67 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.567 0.587 . . . . 25.0 114.567 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -139.5 138.88 36.75 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.517 0.327 . . . . 25.0 110.277 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.96 111.31 27.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.8 p -82.26 163.07 22.09 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.867 -0.733 . . . . 25.0 109.429 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.52 79.09 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.26 83.33 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.99 0.424 . . . . 25.0 111.467 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.79 -43.77 71.43 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.62 -41.7 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.49 0.662 . . . . 25.0 109.424 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -38.07 83.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.018 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.84 -45.41 86.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.306 -0.247 . . . . 25.0 110.565 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.64 -45.17 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mmt -62.58 -40.58 97.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.353 -0.217 . . . . 25.0 111.569 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.6 m -62.74 -38.87 92.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.729 0.3 . . . . 25.0 110.539 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.95 -28.06 62.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.307 -0.246 . . . . 25.0 111.174 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 mt -72.82 -25.25 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 122.83 -16.84 8.26 Favored Glycine 0 C--N 1.328 0.114 0 CA-C-N 116.055 -0.521 . . . . 25.0 112.487 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -71.23 134.32 46.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 25.0 110.312 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -114.69 54.57 0.77 Allowed 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.607 0.718 . . . . 25.0 110.496 -174.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.43 163.32 27.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.224 -1.353 . . . . 25.0 107.357 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -92.35 168.02 11.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.51 -34.56 78.06 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -64.36 -40.52 96.0 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.542 -1.208 . . . . 25.0 112.24 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.17 -37.36 85.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.542 0.686 . . . . 25.0 109.902 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -71.56 -34.42 52.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 116.112 -0.495 . . . . 25.0 110.162 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.32 -44.89 96.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.177 0.513 . . . . 25.0 109.802 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.72 -37.52 82.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.12 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 95.8 mtp -69.45 -38.08 77.62 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.17 -38.27 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -60.39 -25.04 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.05 -20.69 66.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -123.38 3.43 9.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -86.77 76.85 9.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.503 0.668 . . . . 25.0 111.208 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.4 -44.26 97.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.712 -0.677 . . . . 25.0 112.035 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -87.34 -2.59 58.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.047 1.129 . . . . 25.0 114.047 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.11 17.39 80.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 116.987 1.555 . . . . 25.0 116.987 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.22 1.53 50.43 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.08 10.1 84.32 Favored Glycine 0 C--O 1.24 0.476 0 C-N-CA 121.325 -0.464 . . . . 25.0 114.23 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -137.78 171.14 14.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.19 116.71 47.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.776 -1.565 . . . . 25.0 106.776 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.94 166.64 23.05 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 -177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -59.43 -43.58 93.08 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 120.416 -0.514 . . . . 25.0 110.775 174.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.23 -37.86 88.88 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.463 0.649 . . . . 25.0 112.363 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.24 -34.79 76.86 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -69.07 -38.01 78.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.032 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.401 HG22 HG21 ' A' ' 85' ' ' ILE . 78.8 t -62.78 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -63.39 -37.43 87.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 25.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.5 ttm -64.4 -39.02 93.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.217 0.532 . . . . 25.0 111.181 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -175.612 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 112.036 0.384 . . . . 25.0 112.036 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.54 -38.72 74.24 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.25 -43.26 87.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.6 78.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.782 0.433 . . . . 25.0 111.533 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -68.73 -45.5 71.36 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 120.965 0.412 . . . . 25.0 110.047 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.1 t -67.18 -20.38 65.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.397 0.618 . . . . 25.0 111.337 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -27.71 65.81 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 116.18 -0.464 . . . . 25.0 110.384 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.02 -41.41 8.77 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.614 0.365 . . . . 25.0 111.234 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.95 101.67 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.654 0.781 . . . . 25.0 109.109 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -70.57 -24.64 62.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 121.772 -0.58 . . . . 25.0 111.681 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -84.48 -27.65 27.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.296 0.569 . . . . 25.0 110.476 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 15.58 78.51 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.389 -0.823 . . . . 25.0 113.632 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -79.31 -25.85 42.33 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.13 -2.35 8.38 Favored Glycine 0 C--O 1.241 0.57 0 C-N-CA 121.451 -0.405 . . . . 25.0 114.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -134.59 146.57 49.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 117.458 0.629 . . . . 25.0 111.367 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.13 124.61 69.94 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 t -104.06 169.91 8.22 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.0 p -56.0 -39.16 71.48 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.445 0.64 . . . . 25.0 111.71 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -60.7 -42.68 97.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.55 0.69 . . . . 25.0 110.606 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.78 -42.26 70.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.505 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.12 -41.81 93.44 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.9 -33.32 85.37 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 121.465 -0.398 . . . . 25.0 113.543 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.6 m -67.49 -44.9 77.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.34 -43.38 94.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.908 -0.405 . . . . 25.0 109.908 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.4 -45.85 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.117 0.414 . . . . 25.0 112.117 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -70.47 -23.89 62.77 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -69.88 -30.19 67.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.21 -2.67 58.79 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.623 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.48 1.89 65.95 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 115.25 0.86 . . . . 25.0 115.25 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -82.59 155.44 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.904 -0.763 . . . . 25.0 111.774 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -127.1 54.86 13.27 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 115.494 1.665 . . . . 25.0 115.494 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.01 151.26 61.79 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 115.488 -2.541 . . . . 25.0 113.249 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.5 p -74.05 161.97 29.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.98 -18.78 62.6 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.455 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.61 69.0 Favored 'General case' 0 C--O 1.205 -1.263 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.4 -38.82 88.35 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.9 -35.38 80.48 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.77 -0.581 . . . . 25.0 110.301 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -68.89 -44.3 73.48 Favored 'General case' 0 C--O 1.198 -1.609 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.79 -45.49 94.2 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-O 121.895 0.855 . . . . 25.0 111.581 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.6 mtt -60.79 -24.47 65.82 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -86.26 -45.56 16.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.24 -30.27 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -52.36 -32.75 39.95 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -9.9 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -83.85 52.08 2.2 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 123.287 0.635 . . . . 25.0 110.812 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.28 61.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.025 0.44 . . . . 25.0 111.688 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -82.71 -9.48 59.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.908 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.92 79.19 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 116.469 1.348 . . . . 25.0 116.469 175.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.86 -6.05 58.29 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.192 1.496 . . . . 25.0 113.965 -176.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.62 -2.08 84.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 117.153 1.621 . . . . 25.0 117.153 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.7 p -138.25 149.06 45.38 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 117.664 0.732 . . . . 25.0 112.261 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.96 111.86 21.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.545 1.164 . . . . 25.0 108.222 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -88.35 171.28 10.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.234 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.38 -49.81 83.27 Favored Pre-proline 0 CA--C 1.554 1.103 0 N-CA-C 114.682 1.364 . . . . 25.0 114.682 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -64.13 -30.53 65.37 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 115.221 -2.72 . . . . 25.0 115.195 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.21 -29.09 60.2 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.711 -0.618 . . . . 25.0 109.689 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.9 -35.92 72.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.09 -38.52 90.99 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.4 m -66.08 -37.52 85.99 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.664 0.745 . . . . 25.0 110.697 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.8 ttp . . . . . 0 C--O 1.241 0.628 0 O-C-N 121.678 -0.639 . . . . 25.0 110.27 177.649 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.233 0.234 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -65.77 -22.37 66.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 118.454 -0.784 . . . . 25.0 111.613 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' HH11 ' A' ' 90' ' ' ARG . 47.7 mt-10 -67.92 -44.11 77.64 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.801 1.182 . . . . 25.0 108.42 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.38 76.73 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.893 0.854 . . . . 25.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 73.1 t80 -63.5 -39.05 93.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 25.0 109.7 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 87' ' ' GLU . 37.1 mtm-85 -71.12 -11.46 60.96 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 114.125 1.158 . . . . 25.0 114.125 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.78 -36.78 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 106.922 -1.51 . . . . 25.0 106.922 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -93.43 -47.2 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.015 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -83.86 56.39 3.66 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 121.436 0.636 . . . . 25.0 110.536 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -65.33 -25.78 67.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.652 0.739 . . . . 25.0 110.628 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -75.89 -14.03 60.27 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.196 -0.911 . . . . 25.0 111.795 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.68 72.87 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 116.571 1.389 . . . . 25.0 116.571 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.58 -1.29 57.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.226 1.513 . . . . 25.0 114.108 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.54 3.74 64.47 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 114.594 0.598 . . . . 25.0 114.594 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.19 151.21 47.49 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 122.455 -0.438 . . . . 25.0 110.128 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -105.69 124.15 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 171.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.7 p -95.96 166.08 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 25.0 110.01 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.51 82.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.037 0.446 . . . . 25.0 110.582 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -68.85 -41.62 78.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 25.0 111.207 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.77 -51.02 70.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.54 -0.755 . . . . 25.0 109.157 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -60.3 -37.73 81.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.712 -0.676 . . . . 25.0 112.02 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.14 -45.0 93.96 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.948 -0.47 . . . . 25.0 111.56 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.88 -42.25 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-O 120.917 0.389 . . . . 25.0 110.275 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.9 mtp -66.25 -32.26 73.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 113.992 1.108 . . . . 25.0 113.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.6 m -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.189 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -70.97 -23.62 62.25 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.48 -16.89 60.26 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.065 0.546 . . . . 25.0 110.653 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.87 -9.79 60.22 Favored Glycine 0 C--O 1.246 0.889 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.692 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.42 134.39 45.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.522 0.677 . . . . 25.0 110.295 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -109.18 67.2 0.65 Allowed 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.51 0.672 . . . . 25.0 110.195 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.69 155.52 40.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.13 -0.941 . . . . 25.0 109.886 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.0 p -88.64 176.34 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -32.09 71.27 Favored 'General case' 0 C--O 1.202 -1.409 0 C-N-CA 119.482 -0.887 . . . . 25.0 108.66 174.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.37 -41.48 98.81 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.478 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -62.96 -33.73 76.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.18 0.514 . . . . 25.0 110.762 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -78.88 -38.87 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.91 -44.18 94.44 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.54 -49.78 76.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.139 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.5 mtm -59.31 -34.74 72.69 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -77.43 -45.27 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 119.416 -0.326 . . . . 25.0 111.554 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -65.93 -34.08 77.31 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.51 -15.82 61.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.575 0.702 . . . . 25.0 110.459 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.3 -18.69 15.33 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.054 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -81.91 73.37 8.95 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.682 0.993 . . . . 25.0 113.682 -173.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.33 -45.26 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -86.98 -3.95 59.13 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 114.526 1.306 . . . . 25.0 114.526 -174.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.41 15.51 81.44 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.54 -1.2 49.9 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.594 1.197 . . . . 25.0 112.938 -177.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.85 3.29 85.84 Favored Glycine 0 C--O 1.24 0.531 0 C-N-CA 120.696 -0.764 . . . . 25.0 114.639 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -132.84 169.68 16.4 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.78 114.64 44.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.34 171.25 15.44 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.81 -1.552 . . . . 25.0 106.81 -175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.431 ' HA ' ' CE2' ' A' ' 89' ' ' PHE . 71.0 t80 -60.28 -45.12 94.44 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.063 -1.023 . . . . 25.0 112.452 177.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.39 -36.83 85.43 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.413 0.625 . . . . 25.0 111.798 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.87 -35.36 76.81 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.84 -0.618 . . . . 25.0 109.803 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.19 -40.43 96.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -43.55 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -62.41 -45.72 91.83 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.046 -0.409 . . . . 25.0 111.595 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.78 -36.79 79.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.06 0.457 . . . . 25.0 109.905 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.9 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.154 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 C--O 1.217 -0.638 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -66.31 -40.08 89.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -68.74 -40.46 79.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.127 0.489 . . . . 25.0 109.825 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.92 85.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.019 0.438 . . . . 25.0 111.446 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.37 -44.45 78.94 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.635 -0.505 . . . . 25.0 109.635 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 t -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 25.0 110.684 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -26.61 68.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.152 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.95 -36.51 11.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 25.0 110.831 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -79.76 82.69 5.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.763 0.792 . . . . 25.0 110.55 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.03 -26.27 63.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.261 0.837 . . . . 25.0 113.261 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -96.1 -13.99 23.21 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.25 81.23 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 116.902 1.521 . . . . 25.0 116.902 173.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.49 -5.96 55.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.03 58.22 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 114.814 0.685 . . . . 25.0 114.814 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 p -133.9 160.26 38.2 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.526 0.663 . . . . 25.0 111.087 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.13 124.98 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.727 -1.583 . . . . 25.0 106.727 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -108.03 167.58 9.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -36.4 70.1 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 122.096 -0.377 . . . . 25.0 111.555 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.03 -44.78 83.24 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.367 0.604 . . . . 25.0 110.937 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.31 -44.29 62.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.301 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.11 -44.23 97.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.676 0.751 . . . . 25.0 110.02 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -34.2 85.8 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.323 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -63.79 -41.63 97.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.24 -45.9 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.9 mtt -61.12 -44.44 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.54 -19.43 60.34 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.801 -0.76 . . . . 25.0 112.159 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -71.58 -23.17 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -90.82 1.86 56.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.688 . . . . 25.0 111.105 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.28 -1.26 57.35 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 116.071 1.188 . . . . 25.0 116.071 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -74.63 160.44 30.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.126 0.963 . . . . 25.0 110.153 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -124.47 56.07 11.45 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 111.938 0.348 . . . . 25.0 111.938 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.9 162.79 26.37 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 116.367 -1.955 . . . . 25.0 114.899 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -95.62 162.86 13.45 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.7 -32.75 74.48 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.49 -0.756 . . . . 25.0 112.662 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.74 78.32 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.777 0.322 . . . . 25.0 110.792 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -63.59 -38.32 90.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.171 0.986 . . . . 25.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.8 mt -73.54 -31.34 63.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.597 -0.729 . . . . 25.0 110.25 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -70.61 -37.36 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.49 -28.76 66.34 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 119.305 -0.958 . . . . 25.0 110.437 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -68.99 -27.84 66.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.018 -0.426 . . . . 25.0 110.891 175.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.5 mt -79.71 -47.19 22.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.25 -31.88 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 122.518 0.327 . . . . 25.0 110.819 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.92 -20.17 61.68 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -9.18 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -84.58 55.07 3.25 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.718 0.807 . . . . 25.0 111.523 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -15.98 63.24 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.212 0.53 . . . . 25.0 112.202 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -83.56 -19.39 35.68 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.74 0.816 . . . . 25.0 112.063 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.39 17.44 73.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.469 1.348 . . . . 25.0 116.469 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.01 -6.22 55.82 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.1 1.519 . . . . 25.0 115.1 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.04 4.56 86.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 117.552 1.781 . . . . 25.0 117.552 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -137.52 158.99 43.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.218 1.009 . . . . 25.0 110.547 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.7 mt -88.59 116.33 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.71 172.12 11.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.05 -48.84 96.37 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 114.535 1.309 . . . . 25.0 114.535 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.99 -28.11 49.97 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.285 -3.344 . . . . 25.0 113.656 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.05 -32.63 65.18 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -67.11 -39.89 86.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.33 -39.26 93.54 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 109.265 -0.643 . . . . 25.0 109.265 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.37 -39.25 92.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.876 0.369 . . . . 25.0 110.505 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.405 0.621 . . . . 25.0 110.409 177.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.237 0.415 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -63.2 -41.45 99.17 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.608 -0.683 . . . . 25.0 110.519 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.324 -0.235 . . . . 25.0 111.487 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.32 85.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.94 0.4 . . . . 25.0 110.717 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -63.21 -40.25 96.95 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.4 -14.96 63.37 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.25 -40.7 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -94.76 -40.21 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -81.49 73.64 8.52 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.851 0.834 . . . . 25.0 109.589 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -74.99 -29.66 60.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -85.21 -10.39 56.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.66 0.267 . . . . 25.0 110.591 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.35 75.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -81.61 0.69 37.25 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.185 0.993 . . . . 25.0 113.357 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.48 2.57 72.98 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 115.003 0.761 . . . . 25.0 115.003 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -140.79 157.82 44.85 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 117.032 0.416 . . . . 25.0 110.294 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 mt -119.56 107.3 20.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.1 p -83.77 166.13 18.27 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.886 -0.509 . . . . 25.0 110.682 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.98 90.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.064 0.459 . . . . 25.0 111.379 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.37 77.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.34 0.59 . . . . 25.0 110.758 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -72.11 -40.66 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.1 tp -65.62 -41.97 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 25.0 109.505 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -37.91 74.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.689 . . . . 25.0 110.673 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -60.32 -43.9 95.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 25.0 110.671 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.05 -48.09 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.16 0.505 . . . . 25.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.6 mtt -65.12 -39.52 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.4 m -63.61 -38.47 91.24 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -72.15 -23.91 61.37 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 120.848 -0.341 . . . . 25.0 111.278 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.75 -11.09 59.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.001 0.429 . . . . 25.0 109.957 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.46 8.6 65.84 Favored Glycine 0 C--O 1.241 0.566 0 CA-C-N 116.133 -0.485 . . . . 25.0 112.819 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.31 123.91 24.0 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -92.88 53.68 2.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.382 0.61 . . . . 25.0 110.807 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.0 mt -81.81 162.82 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.7 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.7 p -94.51 169.56 10.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -70.47 -29.07 65.52 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.85 -35.68 78.99 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 116.039 -0.528 . . . . 25.0 111.529 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.65 -38.17 90.11 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.579 0.704 . . . . 25.0 109.714 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.18 -39.76 65.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -60.69 -44.44 96.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.271 0.558 . . . . 25.0 110.258 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.91 -43.56 98.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.787 177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.7 mtm -65.79 -34.79 78.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.1 mm -71.84 -39.11 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 mtm105 -62.87 -26.19 68.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -69.03 -17.16 63.86 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 121.022 0.439 . . . . 25.0 111.214 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.94 -12.94 11.96 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.07 75.47 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.576 0.703 . . . . 25.0 112.097 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.59 -43.63 98.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.347 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -86.61 -4.18 59.14 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.39 1.255 . . . . 25.0 114.39 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.52 20.25 79.62 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 116.82 1.488 . . . . 25.0 116.82 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -0.74 56.09 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.47 8.42 80.8 Favored Glycine 0 C--O 1.242 0.6 0 C-N-CA 121.172 -0.537 . . . . 25.0 113.639 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.45 168.53 19.46 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.204 -0.586 . . . . 25.0 109.924 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.0 t -100.62 120.69 50.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -80.52 171.13 15.44 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.59 -48.68 80.69 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.08 -35.22 77.82 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.146 -0.971 . . . . 25.0 111.544 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.54 -32.87 74.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.699 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.99 -34.78 77.19 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.97 -0.456 . . . . 25.0 111.015 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.83 -39.97 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.396 -0.964 . . . . 25.0 108.396 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -63.88 -40.22 96.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.895 -0.503 . . . . 25.0 110.71 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.8 ttt -66.02 -21.62 66.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.375 0.607 . . . . 25.0 111.732 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.9 ttm . . . . . 0 C--N 1.322 -0.6 0 O-C-N 121.918 -0.489 . . . . 25.0 111.504 179.681 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.237 0.397 0 N-CA-C 112.258 0.466 . . . . 25.0 112.258 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -70.5 -41.85 72.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.105 -0.331 . . . . 25.0 110.105 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -71.86 -34.4 69.19 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.473 -0.491 . . . . 25.0 110.322 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.24 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.129 -0.357 . . . . 25.0 110.525 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -67.2 -42.42 84.16 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.207 -0.308 . . . . 25.0 110.264 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -60.91 -33.87 73.8 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.662 0.744 . . . . 25.0 112.143 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.29 -37.98 85.15 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 122.276 1.036 . . . . 25.0 111.774 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -78.99 -36.75 40.8 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.727 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -77.21 102.39 6.62 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.394 0.616 . . . . 25.0 110.685 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -69.69 -23.38 63.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.608 0.966 . . . . 25.0 113.608 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -88.85 -28.11 20.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 25.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.22 16.22 80.71 Favored Glycine 0 C--O 1.224 -0.503 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.58 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.15 -13.77 49.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.898 1.073 . . . . 25.0 113.898 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.92 -0.45 28.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 114.719 0.648 . . . . 25.0 114.719 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -132.19 145.15 51.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.662 0.731 . . . . 25.0 111.572 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -108.44 120.77 60.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -91.14 166.25 13.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 t -62.16 -27.71 69.14 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.563 0.696 . . . . 25.0 111.038 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.52 -44.79 73.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.534 0.683 . . . . 25.0 109.927 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.11 -42.27 80.5 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.526 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.01 -44.83 91.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -38.09 95.64 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-N 115.91 -0.586 . . . . 25.0 113.02 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 m -64.69 -41.59 95.92 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.826 -0.808 . . . . 25.0 110.229 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.17 -45.33 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 121.679 -0.638 . . . . 25.0 109.453 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.74 -42.35 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -72.48 -25.95 61.62 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -71.06 -26.9 63.28 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.86 3.62 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.633 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.35 8.54 81.02 Favored Glycine 0 C--O 1.222 -0.652 0 N-CA-C 114.632 0.613 . . . . 25.0 114.632 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -100.07 138.5 37.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.184 0.492 . . . . 25.0 109.689 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -119.44 59.83 5.35 Favored Pre-proline 0 CA--C 1.556 1.192 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -68.19 166.66 24.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 N-CA-C 114.936 1.091 . . . . 25.0 114.936 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.5 p -83.13 167.11 18.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.335 -0.616 . . . . 25.0 109.335 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -68.68 -32.28 71.98 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.564 -0.71 . . . . 25.0 111.085 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.43 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 25.0 110.409 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -67.18 -39.77 86.47 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.558 0.694 . . . . 25.0 109.571 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.1 mt -68.98 -25.72 64.67 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.063 -0.398 . . . . 25.0 110.841 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -76.07 -38.2 57.33 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 117.977 -1.011 . . . . 25.0 112.294 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.73 -27.93 68.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.652 1.115 . . . . 25.0 111.561 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 55.3 mtt -66.49 -27.03 67.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.173 0.511 . . . . 25.0 111.479 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.3 mt -87.19 -45.74 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.41 -32.61 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 123.456 0.702 . . . . 25.0 111.398 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.6 -20.82 22.93 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.69 -22.53 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -80.58 44.43 0.72 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.09 -14.18 62.86 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.163 0.506 . . . . 25.0 109.689 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -77.86 -18.41 56.26 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.582 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.44 4.16 89.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 119.638 2.615 . . . . 25.0 119.638 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -79.24 -1.26 35.67 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.744 1.772 . . . . 25.0 114.318 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.88 -3.01 85.38 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.943 1.537 . . . . 25.0 116.943 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.3 p -137.03 171.25 14.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 117.227 0.513 . . . . 25.0 111.522 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.3 mt -105.44 109.9 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.24 169.02 12.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.78 -49.7 90.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 N-CA-C 115.61 1.707 . . . . 25.0 115.61 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.39 -18.72 38.58 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 114.274 -3.351 . . . . 25.0 113.398 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -80.79 -22.71 39.84 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.699 -0.626 . . . . 25.0 111.238 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.74 -37.45 82.19 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.96 -37.81 84.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.046 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -64.26 -38.24 90.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.827 -0.546 . . . . 25.0 111.3 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 176.285 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.978 0.418 . . . . 25.0 110.085 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -67.97 -36.45 80.07 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.696 -0.627 . . . . 25.0 111.926 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.43 -46.04 90.36 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.04 -34.78 78.31 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.492 0.495 . . . . 25.0 111.608 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.36 -41.11 93.01 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -70.06 -15.59 63.02 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.26 -35.52 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 175.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -88.33 -43.0 11.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 25.0 111.07 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -83.94 80.17 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.862 0.839 . . . . 25.0 110.551 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.79 -15.89 60.73 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.926 -1.034 . . . . 25.0 112.586 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -75.24 -27.01 59.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.276 0.56 . . . . 25.0 109.838 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.35 27.93 66.94 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.585 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -105.84 5.7 30.96 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.956 1.836 . . . . 25.0 115.956 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 5.11 75.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 115.397 0.919 . . . . 25.0 115.397 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -134.96 133.46 39.54 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.4 mt -100.09 113.87 36.9 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 106.828 -1.545 . . . . 25.0 106.828 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.9 p -78.47 160.58 27.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.893 -0.723 . . . . 25.0 109.967 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.83 76.54 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.91 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.241 0.544 . . . . 25.0 110.944 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -64.51 -46.59 82.29 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -43.79 92.56 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.006 0.431 . . . . 25.0 111.418 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.28 -37.12 82.02 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.815 -0.553 . . . . 25.0 110.627 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -65.7 -38.14 88.38 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.357 -0.537 . . . . 25.0 110.7 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.89 -43.31 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.1 mtp -62.83 -40.92 98.9 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.76 0.314 . . . . 25.0 111.292 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.5 m -61.53 -39.83 92.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.368 0.604 . . . . 25.0 110.025 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -73.82 -23.15 59.62 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.68 -13.43 60.62 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 121.504 0.669 . . . . 25.0 109.468 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.67 32.23 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.853 -0.612 . . . . 25.0 113.079 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.26 118.64 28.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.303 1.049 . . . . 25.0 112.592 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -95.85 61.73 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.79 155.58 40.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -84.84 166.69 16.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 106.556 -1.646 . . . . 25.0 106.556 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.96 -36.13 82.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.816 -0.354 . . . . 25.0 110.066 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -67.61 -37.07 82.01 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.21 -38.31 90.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.427 0.632 . . . . 25.0 109.842 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.07 -35.89 55.11 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.483 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.58 -41.99 87.01 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -60.96 -38.85 87.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 120.846 -0.342 . . . . 25.0 111.722 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.38 -34.17 74.13 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.0 mm -72.22 -37.46 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -59.08 -26.08 64.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -70.53 -15.95 62.83 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.169 0.509 . . . . 25.0 111.024 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -116.72 -26.5 6.96 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -77.99 90.13 4.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.735 0.643 . . . . 25.0 112.735 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.71 -44.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 122.982 0.513 . . . . 25.0 111.829 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -84.13 -9.99 58.14 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.971 1.1 . . . . 25.0 113.971 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.74 22.09 77.6 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.438 -0.646 . . . . 25.0 114.575 174.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -83.63 -0.49 50.81 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.74 11.1 80.21 Favored Glycine 0 C--O 1.249 1.033 0 N-CA-C 112.04 -0.424 . . . . 25.0 112.04 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.95 163.41 30.34 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.657 0.742 . . . . 25.0 111.126 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.47 113.87 44.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -75.26 167.46 21.87 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.37 -2.455 . . . . 25.0 104.37 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -59.23 -43.87 92.35 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.477 -1.389 . . . . 25.0 112.828 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.5 -39.04 91.4 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.717 -0.615 . . . . 25.0 112.587 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.78 -33.93 76.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.608 -0.723 . . . . 25.0 110.783 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -68.91 -39.02 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.165 0.507 . . . . 25.0 110.997 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.31 -42.87 97.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -61.1 -43.62 98.6 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 122.139 -0.35 . . . . 25.0 111.013 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.98 -41.42 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.16 0.505 . . . . 25.0 111.206 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.7 ptm . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 114.47 1.285 . . . . 25.0 114.47 -177.301 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.729 0.27 . . . . 25.0 111.729 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.68 -37.7 73.67 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.809 -0.557 . . . . 25.0 110.474 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.64 -42.82 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.59 76.41 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.178 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -67.73 -45.09 76.02 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -63.26 -29.94 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.811 0.815 . . . . 25.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -21.92 65.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.827 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -102.79 -39.52 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.546 0.338 . . . . 25.0 111.203 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.83 82.17 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.02 0.914 . . . . 25.0 110.855 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.08 -21.66 62.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.22 -14.01 19.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.08 82.73 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.6 -2.68 43.66 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.05 4.84 66.52 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-O 119.588 -0.562 . . . . 25.0 114.165 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -130.87 155.93 45.91 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 117.66 0.73 . . . . 25.0 111.321 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.18 125.04 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -113.07 169.93 8.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -62.01 -28.03 69.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.818 -0.551 . . . . 25.0 112.451 -175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.98 -39.05 87.08 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.634 -0.666 . . . . 25.0 110.725 174.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -72.22 -36.81 69.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.02 87.99 Favored Glycine 0 C--O 1.221 -0.659 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.248 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.6 m -63.81 -43.97 94.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.13 -41.01 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.163 -0.336 . . . . 25.0 110.42 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.4 mmt -60.91 -41.11 95.47 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.838 -0.539 . . . . 25.0 111.754 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -67.49 -32.42 73.23 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.95 -0.469 . . . . 25.0 110.973 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -67.37 -31.02 70.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.867 0.365 . . . . 25.0 110.033 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.49 5.65 19.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.176 -0.465 . . . . 25.0 111.153 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.33 90.2 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 114.138 0.415 . . . . 25.0 114.138 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -86.73 149.68 24.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.267 0.534 . . . . 25.0 110.869 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -123.45 54.33 6.9 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.89 163.57 38.0 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 117.824 -0.984 . . . . 25.0 113.501 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -81.65 165.14 21.3 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.422 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.11 -27.97 66.06 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.164 -0.96 . . . . 25.0 112.807 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.65 69.59 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.546 0.689 . . . . 25.0 109.147 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.42 -40.08 89.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.019 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.7 mt -67.71 -23.5 65.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.548 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -79.44 -40.5 29.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.168 -0.444 . . . . 25.0 111.707 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -69.92 -26.07 63.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.932 0.787 . . . . 25.0 111.837 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.1 mtt -60.24 -32.4 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.999 0.428 . . . . 25.0 110.381 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mt -83.63 -44.14 18.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 CA-C-O 119.126 -0.464 . . . . 25.0 110.12 177.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.36 -32.42 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 118.2 0.454 . . . . 25.0 112.157 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.66 -17.17 59.99 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.18 -34.51 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.738 0.78 . . . . 25.0 109.602 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.12 59.04 2.62 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.098 1.359 . . . . 25.0 112.416 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.49 61.32 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.319 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.23 -17.42 46.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.623 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 5.89 89.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 117.598 1.799 . . . . 25.0 117.598 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -3.67 58.53 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.32 1.56 . . . . 25.0 114.724 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.34 2.56 90.62 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.204 2.041 . . . . 25.0 118.204 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -137.29 146.51 44.76 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.123 0.961 . . . . 25.0 111.326 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.5 123.16 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -105.47 -178.2 3.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.75 -47.32 97.72 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 115.953 1.835 . . . . 25.0 115.953 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -66.82 -27.34 44.06 Favored 'Trans proline' 0 C--N 1.356 0.925 1 C-N-CA 113.179 -4.081 . . . . 25.0 114.785 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -75.93 -27.27 57.53 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.17 -0.957 . . . . 25.0 110.816 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.84 -37.82 85.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -40.36 96.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 25.0 109.805 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.3 m -65.97 -38.65 89.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.5 . . . . 25.0 110.825 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 122.992 0.517 . . . . 25.0 110.98 177.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.39 -44.09 95.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.909 -0.495 . . . . 25.0 110.152 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.639 -0.424 . . . . 25.0 111.507 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.05 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.816 0.341 . . . . 25.0 110.329 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.78 -40.46 97.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 25.0 110.113 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.51 -18.48 65.06 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.55 -35.66 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -92.97 -44.42 8.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -82.82 82.97 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 25.0 110.673 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -68.79 -24.14 64.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.115 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -73.41 -26.89 61.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.209 0.528 . . . . 25.0 110.215 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 21.83 77.68 Favored Glycine 0 C--O 1.223 -0.579 0 N-CA-C 111.64 -0.584 . . . . 25.0 111.64 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -93.53 2.71 56.33 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.224 1.194 . . . . 25.0 114.224 -173.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 8.26 64.08 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 114.48 0.552 . . . . 25.0 114.48 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.91 137.98 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.253 -0.277 . . . . 25.0 110.253 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.22 116.72 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.708 -1.59 . . . . 25.0 106.708 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -88.4 165.27 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.89 80.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.993 0.425 . . . . 25.0 110.33 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.71 98.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 25.0 110.892 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.91 -43.36 83.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.716 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.95 -42.79 99.92 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.466 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.86 -46.92 85.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 176.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.42 -39.47 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 122.307 -0.245 . . . . 25.0 110.61 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -38.89 89.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.601 0.715 . . . . 25.0 111.475 176.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 m -66.88 -35.59 80.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.19 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -70.28 -29.41 66.16 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.094 -0.379 . . . . 25.0 110.989 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.65 -19.97 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.09 0.471 . . . . 25.0 110.009 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.47 6.04 61.39 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-N 116.168 -0.469 . . . . 25.0 112.169 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -69.8 148.91 48.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.117 0.484 . . . . 25.0 109.904 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -120.07 36.29 4.58 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.922 0.868 . . . . 25.0 110.93 -172.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.56 163.24 27.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 113.907 -1.497 . . . . 25.0 108.051 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 120' ' ' GLU . 50.5 p -91.65 171.88 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -66.41 -33.57 76.0 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.148 0.579 . . . . 25.0 111.447 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 117' ' ' THR . 2.0 mm-40 -65.24 -36.66 84.83 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.567 0.698 . . . . 25.0 109.519 178.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.37 -38.36 40.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.99 -39.97 94.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.495 0.664 . . . . 25.0 110.325 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 110.573 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.9 mtm -64.08 -31.99 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.096 -0.378 . . . . 25.0 111.757 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.09 -40.25 78.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.76 -35.73 73.23 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.72 -18.66 62.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.03 -22.62 13.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.852 0.358 . . . . 25.0 111.811 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -83.28 79.31 9.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.075 0.94 . . . . 25.0 112.049 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.42 -40.76 89.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.996 -1.002 . . . . 25.0 110.953 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -81.82 -14.79 55.86 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.67 18.12 71.38 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 117.651 1.82 . . . . 25.0 117.651 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.09 -1.14 56.52 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.188 1.494 . . . . 25.0 114.291 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.19 6.26 71.68 Favored Glycine 0 N--CA 1.461 0.336 0 C-N-CA 121.416 -0.421 . . . . 25.0 113.69 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.65 167.14 22.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.416 0.627 . . . . 25.0 110.26 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.21 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.283 -1.377 . . . . 25.0 107.283 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.95 170.56 16.49 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.64 -43.24 97.8 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.145 0.794 . . . . 25.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.44 -35.49 81.08 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.515 -0.74 . . . . 25.0 111.311 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.23 -30.01 66.97 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.76 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -66.53 -36.41 82.61 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.4 t -66.41 -40.67 87.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -62.67 -41.81 99.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.76 0.314 . . . . 25.0 110.508 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.46 -37.75 88.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 25.0 110.5 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.1 ttm . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 112.145 0.424 . . . . 25.0 112.145 -179.499 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--O 1.224 -0.27 0 CA-C-O 119.748 -0.167 . . . . 25.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -69.1 -36.46 77.57 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 118.118 0.417 . . . . 25.0 110.301 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -68.72 -43.33 76.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.82 81.76 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.859 0.362 . . . . 25.0 110.519 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -69.53 -43.02 73.89 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -64.66 -31.11 72.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 25.0 111.256 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.21 -36.45 83.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.6 0.715 . . . . 25.0 109.118 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.92 -35.78 21.89 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.593 -0.73 . . . . 25.0 112.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.99 86.85 4.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.936 0.874 . . . . 25.0 110.426 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -69.0 -27.6 65.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -100.3 -11.13 20.58 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.49 12.59 83.6 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 117.073 1.589 . . . . 25.0 117.073 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -81.7 -0.87 44.75 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.652 1.352 . . . . 25.0 114.652 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 5.23 70.37 Favored Glycine 0 CA--C 1.517 0.176 0 N-CA-C 114.664 0.626 . . . . 25.0 114.664 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 p -133.03 159.18 40.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.327 0.584 . . . . 25.0 111.835 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.7 mm -109.5 130.28 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.281 -1.748 . . . . 25.0 106.281 173.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -111.44 166.11 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 p -60.44 -35.07 74.96 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.35 -44.32 92.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.825 0.821 . . . . 25.0 110.456 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.62 -36.82 70.88 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.275 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -42.0 97.81 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.67 93.63 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-N 115.826 -0.624 . . . . 25.0 111.841 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.4 m -61.16 -45.69 93.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.123 0.462 . . . . 25.0 109.975 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.95 -42.84 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.2 mmm -61.95 -39.37 91.87 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.76 -0.588 . . . . 25.0 111.405 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -72.03 -26.12 62.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.886 -0.509 . . . . 25.0 111.859 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -71.42 -29.04 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.73 -10.45 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.575 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 9.26 64.27 Favored Glycine 0 C--O 1.235 0.214 0 CA-C-N 116.352 -0.385 . . . . 25.0 113.769 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -76.52 165.14 25.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.36 0.58 . . . . 25.0 111.387 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -123.52 58.02 12.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 115.826 -0.624 . . . . 25.0 112.283 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.28 162.31 36.6 Favored 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 115.677 -2.415 . . . . 25.0 113.504 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.3 p -89.13 156.75 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.538 -2.023 . . . . 25.0 105.538 172.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.18 -20.01 63.15 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.475 -0.89 . . . . 25.0 110.081 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.0 80.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.032 -0.359 . . . . 25.0 110.032 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.35 -39.9 81.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.105 0.955 . . . . 25.0 109.097 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.62 -31.53 72.28 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.642 -0.662 . . . . 25.0 109.801 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -69.22 -44.15 72.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 118.904 -0.569 . . . . 25.0 110.702 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.82 -31.9 72.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.426 1.012 . . . . 25.0 110.187 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mtp -65.02 -27.92 69.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -43.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.212 -0.292 . . . . 25.0 110.212 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.49 -26.57 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.279 0.632 . . . . 25.0 110.523 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.36 -29.5 34.71 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.965 0.728 . . . . 25.0 112.965 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 t -120.81 -30.29 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 112.065 0.394 . . . . 25.0 112.065 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -77.7 59.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.766 0.826 . . . . 25.0 113.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.16 66.57 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.052 -0.405 . . . . 25.0 111.218 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -78.35 -17.54 56.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.837 0.455 . . . . 25.0 111.137 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.56 78.87 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -4.38 53.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.789 1.295 . . . . 25.0 112.594 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.6 1.15 81.07 Favored Glycine 0 C--O 1.236 0.263 0 N-CA-C 115.581 0.992 . . . . 25.0 115.581 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -133.8 160.35 37.87 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 117.839 0.82 . . . . 25.0 112.946 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.5 mt -109.28 104.48 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 172.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.22 170.28 16.89 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -50.81 -49.22 80.97 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 115.669 1.729 . . . . 25.0 115.669 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.82 -23.04 26.42 Favored 'Trans proline' 0 C--N 1.355 0.871 1 C-N-CA 112.731 -4.379 . . . . 25.0 113.636 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -74.99 -28.69 60.64 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -70.87 -36.28 72.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.35 -39.37 93.75 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.37 -40.69 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.158 0.504 . . . . 25.0 110.577 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 ttt . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.185 0.517 . . . . 25.0 110.216 178.332 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -65.76 -41.16 92.44 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.975 -0.453 . . . . 25.0 110.376 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.3 -48.06 79.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.145 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.05 79.33 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.17 0.509 . . . . 25.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -62.46 -45.71 91.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.36 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -72.25 -15.59 61.92 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 113.699 1.0 . . . . 25.0 113.699 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.64 -41.57 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.08 -45.73 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 25.0 110.455 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -85.82 58.34 4.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.076 0.941 . . . . 25.0 109.379 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.27 -24.49 67.89 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.838 1.422 . . . . 25.0 114.838 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -94.21 4.02 54.46 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.193 -0.317 . . . . 25.0 111.824 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.2 27.03 72.51 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 118.243 2.057 . . . . 25.0 118.243 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -65.65 -27.0 68.05 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.264 1.532 . . . . 25.0 112.679 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.81 5.0 64.87 Favored Glycine 0 C--N 1.32 -0.317 0 N-CA-C 109.018 -1.633 . . . . 25.0 109.018 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -144.99 145.76 31.65 Favored 'General case' 0 C--O 1.251 1.166 0 C-N-CA 123.67 0.788 . . . . 25.0 111.868 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.5 mt -106.93 118.8 55.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 N-CA-C 106.04 -1.837 . . . . 25.0 106.04 170.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -91.24 163.68 14.16 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.87 83.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 25.0 110.176 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.96 94.53 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.253 0.549 . . . . 25.0 110.938 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -73.07 -40.2 65.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.414 -0.357 . . . . 25.0 110.2 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.87 -44.56 96.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.04 -34.02 75.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -62.83 -45.76 91.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.36 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.702 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.8 mtt -58.02 -42.61 85.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 25.0 111.61 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -62.11 -36.37 81.53 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.001 -0.437 . . . . 25.0 110.529 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -73.3 -26.54 61.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.729 0.299 . . . . 25.0 110.91 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.95 -17.41 59.75 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.024 0.44 . . . . 25.0 110.129 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.91 -2.74 55.58 Favored Glycine 0 C--O 1.238 0.396 0 CA-C-N 115.972 -0.558 . . . . 25.0 112.049 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.66 157.73 34.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -139.28 56.92 1.66 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.149 0.426 . . . . 25.0 112.149 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.94 159.25 34.56 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.1 p -89.39 168.58 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -64.21 -35.21 80.05 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.56 -35.13 76.98 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 112.435 0.532 . . . . 25.0 112.435 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.83 -40.59 83.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.29 -40.51 82.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.41 -43.85 96.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.783 0.325 . . . . 25.0 110.618 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -62.77 -43.96 97.44 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.048 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.2 mtp -64.45 -33.61 76.29 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.02 -40.04 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.656 -0.498 . . . . 25.0 109.656 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -58.46 -35.09 71.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.74 -19.68 65.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.646 0.26 . . . . 25.0 111.436 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.11 -19.88 13.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.86 0.362 . . . . 25.0 111.544 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -82.92 82.22 8.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.05 -43.88 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.06 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -87.62 -6.11 58.43 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.155 1.168 . . . . 25.0 114.155 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.17 78.97 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.909 1.124 . . . . 25.0 115.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.01 -0.59 55.9 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.566 1.321 . . . . 25.0 114.566 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 7.92 84.86 Favored Glycine 0 C--O 1.239 0.411 0 O-C-N 121.867 -0.521 . . . . 25.0 113.81 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -134.97 167.11 21.53 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.256 0.551 . . . . 25.0 110.204 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.11 116.96 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.76 167.07 21.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -60.14 -45.47 92.92 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 119.531 -0.868 . . . . 25.0 112.032 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -62.93 -38.68 91.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.529 0.681 . . . . 25.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -33.87 76.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.156 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -70.21 -36.1 74.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.129 -0.357 . . . . 25.0 110.378 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.99 -42.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -61.75 -45.6 93.23 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.09 -20.76 66.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.459 0.647 . . . . 25.0 111.572 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.2 ttm . . . . . 0 C--N 1.322 -0.607 0 O-C-N 121.26 -0.9 . . . . 25.0 111.786 177.779 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 N--CA 1.441 -0.905 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -65.79 -41.85 91.47 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.658 0.663 . . . . 25.0 109.892 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.33 -39.6 74.65 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.827 -0.749 . . . . 25.0 109.084 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.76 81.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.64 -44.8 89.31 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -64.05 -27.14 68.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 25.0 111.206 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.88 -32.03 63.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.628 -0.26 . . . . 25.0 110.819 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.49 -30.28 23.58 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.852 0.358 . . . . 25.0 111.325 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -83.6 92.36 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.676 0.75 . . . . 25.0 109.6 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -76.37 -24.52 54.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 -170.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -108.09 -10.64 15.42 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.04 22.54 65.54 Favored Glycine 0 C--O 1.225 -0.456 0 N-CA-C 115.746 1.058 . . . . 25.0 115.746 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.85 -7.82 59.63 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.72 1.007 . . . . 25.0 113.72 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.37 1.59 57.93 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 114.729 0.652 . . . . 25.0 114.729 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -131.95 161.05 34.05 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.946 0.873 . . . . 25.0 112.131 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mm -116.72 120.16 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 105.281 -2.118 . . . . 25.0 105.281 173.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -101.11 165.75 11.15 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -34.1 61.47 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.825 -0.547 . . . . 25.0 111.766 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -64.29 -39.4 93.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.01 -0.431 . . . . 25.0 111.368 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.48 -43.83 54.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.13 -44.63 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 25.0 110.641 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.2 83.38 Favored Glycine 0 C--O 1.225 -0.459 0 CA-C-N 115.683 -0.69 . . . . 25.0 112.861 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.9 m -66.68 -46.65 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.663 0.731 . . . . 25.0 109.826 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.81 -36.78 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.937 0.398 . . . . 25.0 110.152 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -66.51 -31.06 71.55 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.27 -0.894 . . . . 25.0 112.083 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -73.91 -23.53 59.57 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.167 -0.958 . . . . 25.0 111.111 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -21.7 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.789 0.328 . . . . 25.0 110.639 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -91.28 10.25 28.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.814 173.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.73 7.79 83.8 Favored Glycine 0 CA--C 1.517 0.163 0 N-CA-C 114.546 0.578 . . . . 25.0 114.546 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.76 143.11 30.2 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.272 -0.546 . . . . 25.0 110.095 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -124.79 52.91 6.65 Favored Pre-proline 0 CA--C 1.551 1.012 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.22 164.52 31.0 Favored 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 116.128 -2.115 . . . . 25.0 113.251 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.4 p -76.52 164.71 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.33 -22.87 62.76 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.048 -0.407 . . . . 25.0 110.925 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -42.9 71.69 Favored 'General case' 0 C--O 1.208 -1.117 0 N-CA-C 109.913 -0.402 . . . . 25.0 109.913 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.34 -39.82 94.66 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.41 -33.5 75.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.103 -0.373 . . . . 25.0 110.766 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.61 -42.89 70.35 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 110.303 -0.258 . . . . 25.0 110.303 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.19 -35.91 76.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 25.0 110.41 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.0 mtt -67.28 -25.77 66.21 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -80.92 -47.08 20.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.87 -32.86 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 120.798 0.332 . . . . 25.0 110.392 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.02 -21.6 59.32 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.972 1.471 . . . . 25.0 114.972 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.55 -13.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.511 1.3 . . . . 25.0 114.511 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -77.73 65.51 3.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 25.0 112.954 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -24.34 67.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -89.47 -7.17 55.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.22 73.79 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 116.444 1.337 . . . . 25.0 116.444 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -2.13 50.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.632 1.216 . . . . 25.0 113.669 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.44 -1.6 86.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 115.579 0.992 . . . . 25.0 115.579 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.3 p -133.91 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.073 0.936 . . . . 25.0 111.048 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.8 mt -84.91 121.48 36.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.11 -1.811 . . . . 25.0 106.11 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 178.97 4.41 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.57 -55.54 22.07 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -171.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.24 -26.08 30.38 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 113.513 -3.858 . . . . 25.0 114.62 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.43 -33.24 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.956 -0.465 . . . . 25.0 109.924 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.7 -42.35 77.87 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.97 -42.64 94.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -64.35 -41.71 96.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.828 -0.169 . . . . 25.0 111.401 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.0 ttm . . . . . 0 N--CA 1.471 0.613 0 O-C-N 121.825 -0.547 . . . . 25.0 111.582 -179.289 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--O 1.224 -0.259 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -65.31 -42.37 93.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.197 -0.314 . . . . 25.0 111.706 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.43 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.95 86.24 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.88 -45.26 93.39 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.271 -0.268 . . . . 25.0 110.529 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -70.07 -22.64 63.04 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.57 -38.09 81.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -87.98 -39.31 14.8 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.576 -0.45 . . . . 25.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -81.66 76.44 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.009 0.909 . . . . 25.0 110.339 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -66.24 -23.72 66.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.214 -0.903 . . . . 25.0 112.138 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -75.72 -24.6 56.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.406 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.14 13.12 79.61 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.24 2.17 52.89 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.469 1.655 . . . . 25.0 115.469 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 4.19 68.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 116.238 1.255 . . . . 25.0 116.238 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.56 143.64 35.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 mt -110.62 111.07 34.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.6 p -82.93 161.58 21.78 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.508 -0.745 . . . . 25.0 109.888 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.22 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.891 0.377 . . . . 25.0 111.067 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.56 83.28 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.341 0.591 . . . . 25.0 110.914 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -69.87 -41.91 74.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.081 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -45.98 89.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -58.38 -37.86 76.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.354 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -62.67 -45.6 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.126 0.489 . . . . 25.0 110.456 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.99 -47.0 92.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.08 -39.3 81.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.5 m -63.06 -42.16 99.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -71.89 -24.95 61.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.739 0.304 . . . . 25.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.6 mt -76.85 -19.66 57.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.022 0.529 . . . . 25.0 110.546 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.48 24.42 31.04 Favored Glycine 0 C--O 1.242 0.617 0 C-N-CA 121.287 -0.482 . . . . 25.0 113.239 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.89 163.98 18.41 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.685 0.755 . . . . 25.0 112.632 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -129.45 57.53 1.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.75 -173.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.85 162.48 22.09 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 105.634 -1.987 . . . . 25.0 105.634 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.6 p -93.44 167.93 11.39 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.23 -32.94 74.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.21 -32.19 69.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.539 -0.755 . . . . 25.0 111.403 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.35 -35.31 73.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.07 -38.21 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.98 -48.24 82.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.03 -37.83 83.95 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.591 -0.693 . . . . 25.0 112.102 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.92 -32.32 73.59 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.976 -0.452 . . . . 25.0 111.966 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -75.96 -41.17 38.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.131 -0.322 . . . . 25.0 110.131 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.84 -35.49 70.98 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 -174.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.8 -25.21 64.58 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.624 0.249 . . . . 25.0 111.517 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.13 -17.11 14.25 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -82.73 82.1 8.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.75 0.786 . . . . 25.0 111.979 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.17 -40.54 87.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.826 -177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -86.18 -14.68 43.31 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.16 17.92 77.36 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 116.274 1.27 . . . . 25.0 116.274 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -83.27 -0.65 50.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.05 10.75 77.81 Favored Glycine 0 C--O 1.247 0.923 0 C-N-CA 120.969 -0.634 . . . . 25.0 113.052 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -135.84 162.36 33.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.69 0.757 . . . . 25.0 110.261 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.05 118.1 49.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -79.11 171.12 15.64 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 105.469 -2.049 . . . . 25.0 105.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.14 -43.45 95.71 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.805 -0.758 . . . . 25.0 111.929 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.22 -40.91 97.02 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.527 0.679 . . . . 25.0 111.774 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -66.29 -32.65 74.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 25.0 109.883 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -67.7 -34.94 77.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.166 -0.334 . . . . 25.0 110.81 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.22 -40.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -62.8 -43.36 99.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.347 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.4 ttt -66.01 -19.07 65.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 tpp . . . . . 0 C--N 1.322 -0.597 0 O-C-N 121.836 -0.54 . . . . 25.0 110.913 178.068 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 120.502 0.192 . . . . 25.0 111.309 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -66.12 -37.3 85.39 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.925 -0.398 . . . . 25.0 109.925 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -40.78 90.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.12 80.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.84 0.352 . . . . 25.0 110.86 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -67.92 -42.94 80.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 25.0 110.04 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -66.96 -19.78 65.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.168 0.509 . . . . 25.0 111.012 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.92 -23.38 62.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.308 -0.406 . . . . 25.0 110.455 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.23 -42.31 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 122.296 0.239 . . . . 25.0 111.417 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -74.66 96.82 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.83 0.824 . . . . 25.0 111.454 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -80.0 -24.46 40.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.54 -0.755 . . . . 25.0 111.627 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -76.01 -27.93 57.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 25.0 110.939 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.32 27.59 61.44 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.203 -0.523 . . . . 25.0 112.122 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -107.67 -1.13 21.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.804 1.039 . . . . 25.0 113.804 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 9.94 65.13 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 115.167 0.827 . . . . 25.0 115.167 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -131.43 156.65 45.24 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.712 0.756 . . . . 25.0 112.118 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mt -119.58 120.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -111.6 169.67 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -56.67 -33.57 66.52 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.665 0.666 . . . . 25.0 112.644 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -58.29 -43.78 88.17 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.773 0.797 . . . . 25.0 110.629 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.12 -41.06 43.51 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.91 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.51 -46.14 91.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 25.0 109.343 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.72 -32.63 84.84 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 116.168 -0.469 . . . . 25.0 112.691 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.6 m -64.44 -39.88 94.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.124 0.462 . . . . 25.0 109.864 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.68 -43.03 62.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 121.954 -0.466 . . . . 25.0 110.358 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.35 -44.37 95.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.926 -0.484 . . . . 25.0 112.122 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -71.26 -20.37 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.403 -0.811 . . . . 25.0 112.223 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -76.72 -21.76 54.85 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.881 -0.512 . . . . 25.0 109.7 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.48 -5.96 59.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 174.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.13 6.66 68.83 Favored Glycine 0 C--O 1.226 -0.353 0 CA-C-N 116.09 -0.504 . . . . 25.0 113.428 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -77.11 150.89 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -116.57 59.55 2.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 122.953 0.501 . . . . 25.0 111.904 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.01 158.48 45.84 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 116.199 -2.068 . . . . 25.0 113.676 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.9 p -83.48 162.68 20.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -67.37 -31.13 71.16 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.394 -0.816 . . . . 25.0 110.741 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.76 76.22 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.91 -41.53 91.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.426 0.631 . . . . 25.0 109.624 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.57 -37.11 82.17 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.201 -0.454 . . . . 25.0 111.407 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.63 -41.37 65.57 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.651 -0.25 . . . . 25.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.92 -33.24 74.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.03 -24.79 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.047 0.451 . . . . 25.0 111.164 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -83.7 -45.48 18.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.3 mt -56.52 -38.27 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.364 0.266 . . . . 25.0 111.084 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.27 -19.22 32.54 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.8 -3.97 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 113.796 1.035 . . . . 25.0 113.796 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.78 56.64 2.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.504 0.721 . . . . 25.0 112.486 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.22 -16.45 60.22 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.64 -0.26 40.62 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.143 0.423 . . . . 25.0 112.143 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 16.56 67.53 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.973 1.549 . . . . 25.0 116.973 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -84.31 3.62 34.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.19 7.44 88.45 Favored Glycine 0 C--O 1.24 0.492 0 N-CA-C 115.489 0.955 . . . . 25.0 115.489 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.1 p -141.55 162.93 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.146 0.473 . . . . 25.0 111.388 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.1 mt -93.12 113.92 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 172.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.13 172.18 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.09 -46.03 99.74 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 116.347 1.98 . . . . 25.0 116.347 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.91 -21.33 24.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.415 -3.924 . . . . 25.0 113.686 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -77.45 -31.06 53.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.793 -0.818 . . . . 25.0 108.793 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -65.8 -35.67 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 173.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.79 -36.11 77.86 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.787 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.85 -40.76 92.03 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.952 -0.468 . . . . 25.0 109.919 174.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 ttp . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.47 0.652 . . . . 25.0 109.964 177.308 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.9 mt . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -65.81 -40.48 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.0 -0.438 . . . . 25.0 110.932 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -66.85 -37.25 84.11 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.667 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.27 86.98 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.976 -0.452 . . . . 25.0 110.584 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.88 -43.27 98.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.09 -17.61 64.61 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.34 -37.39 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.38 -38.63 13.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.1 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 54.42 2.74 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.438 1.113 . . . . 25.0 108.633 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -69.03 -8.93 49.66 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -91.91 -8.13 47.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.595 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.53 16.79 79.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 117.967 1.947 . . . . 25.0 117.967 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -89.37 1.39 55.87 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.38 1.622 . . . . 25.0 115.38 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.64 3.27 66.63 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.533 0.973 . . . . 25.0 115.533 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -139.06 141.19 38.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.152 0.476 . . . . 25.0 110.684 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -98.08 105.13 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.1 p -79.56 161.59 25.87 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.687 -0.633 . . . . 25.0 109.565 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -35.54 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.635 0.731 . . . . 25.0 109.569 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.48 87.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.267 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.14 -43.0 65.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.362 -0.211 . . . . 25.0 110.887 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -47.68 83.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.468 -0.493 . . . . 25.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.745 -0.597 . . . . 25.0 111.704 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -68.26 -43.24 78.28 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.44 -44.33 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.2 mmt -60.4 -41.31 93.62 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.14 -38.25 90.45 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.968 -0.457 . . . . 25.0 110.574 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.12 -26.15 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.296 . . . . 25.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.42 -20.39 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.701 0.401 . . . . 25.0 110.498 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.28 2.82 57.82 Favored Glycine 0 C--O 1.239 0.435 0 CA-C-N 116.077 -0.511 . . . . 25.0 112.389 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.58 150.8 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.231 0.539 . . . . 25.0 110.144 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -127.69 48.57 2.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.966 -0.561 . . . . 25.0 112.429 -172.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.32 156.36 39.6 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 174.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -85.59 163.22 18.48 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -64.39 -30.21 71.26 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.13 -37.28 83.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.603 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -65.79 -38.22 88.41 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.258 0.552 . . . . 25.0 109.7 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.46 -38.56 74.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.004 0.431 . . . . 25.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.12 -43.1 95.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.076 0.465 . . . . 25.0 110.521 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 mtt -67.95 -34.48 76.66 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.44 -43.55 48.97 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.0 mtm105 -63.84 -29.78 70.94 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 115.75 1.759 . . . . 25.0 115.75 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.17 -24.19 62.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.536 0.607 . . . . 25.0 110.606 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.01 -20.7 17.24 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.694 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -83.54 76.4 9.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.812 0.815 . . . . 25.0 111.509 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.39 -40.81 89.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.377 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -82.47 -13.13 57.22 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.98 79.86 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 117.65 1.82 . . . . 25.0 117.65 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.71 -0.91 52.8 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.768 1.396 . . . . 25.0 114.768 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.2 8.49 74.98 Favored Glycine 0 C--O 1.247 0.966 0 C-N-CA 121.504 -0.379 . . . . 25.0 113.741 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.92 164.98 27.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.21 0.528 . . . . 25.0 109.816 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.6 t -102.1 116.27 45.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.13 173.35 12.68 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.22 -44.51 97.15 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.622 -0.674 . . . . 25.0 112.736 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.3 -42.84 99.7 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.334 1.064 . . . . 25.0 110.904 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.31 -30.02 70.83 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.688 -1.142 . . . . 25.0 111.487 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -68.33 -34.92 76.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.816 -0.553 . . . . 25.0 110.657 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 83.1 t -68.65 -39.06 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -61.47 -42.15 98.34 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 122.076 -0.39 . . . . 25.0 109.97 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.1 ttt -67.48 -19.32 65.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.567 0.699 . . . . 25.0 112.322 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.1 ttm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 121.905 -0.497 . . . . 25.0 111.154 179.414 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--O 1.221 -0.432 0 N-CA-C 114.695 1.369 . . . . 25.0 114.695 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -71.16 -22.74 62.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.067 0.849 . . . . 25.0 110.564 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -77.58 -44.71 27.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -33.83 74.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.755 0.312 . . . . 25.0 110.307 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -67.05 -42.73 84.31 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -65.12 -17.91 64.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.76 -25.26 53.23 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-O 121.987 0.898 . . . . 25.0 110.032 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -94.85 -42.75 8.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.047 -0.979 . . . . 25.0 111.998 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -74.33 104.78 5.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.516 0.674 . . . . 25.0 109.316 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -75.8 -19.29 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.998 1.111 . . . . 25.0 113.998 -172.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -115.08 -12.9 11.88 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.998 1.11 . . . . 25.0 113.998 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.53 12.73 82.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 117.604 1.801 . . . . 25.0 117.604 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.17 -8.05 56.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 2.9 52.36 Favored Glycine 0 C--O 1.229 -0.204 0 N-CA-C 114.782 0.673 . . . . 25.0 114.782 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -134.57 157.2 47.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.02 0.438 . . . . 25.0 110.074 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.7 mt -115.01 115.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 105.621 -1.992 . . . . 25.0 105.621 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -86.01 166.09 16.16 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -61.53 -30.88 70.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.875 -0.516 . . . . 25.0 109.86 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.07 -44.15 89.9 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.403 0.62 . . . . 25.0 110.692 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.6 -40.02 76.9 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.78 -45.69 93.4 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -33.55 87.54 Favored Glycine 0 C--O 1.222 -0.616 0 CA-C-N 115.948 -0.569 . . . . 25.0 112.998 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.2 m -68.17 -42.53 79.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.881 -0.776 . . . . 25.0 110.362 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.31 -41.13 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.6 mmt -56.81 -47.47 80.18 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.422 0.289 . . . . 25.0 110.572 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.43 -35.93 80.78 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -67.54 -26.54 66.37 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.385 0.612 . . . . 25.0 111.276 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.35 -1.32 57.83 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.838 0.855 . . . . 25.0 110.953 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.31 5.71 75.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.196 -0.526 . . . . 25.0 113.916 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -92.38 146.21 23.87 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -133.79 70.42 75.28 Favored Pre-proline 0 N--CA 1.479 0.981 0 O-C-N 121.859 -0.525 . . . . 25.0 111.474 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.76 168.3 24.9 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 120.511 0.808 . . . . 25.0 112.204 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -81.8 163.62 22.23 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.049 -1.463 . . . . 25.0 107.049 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -67.14 -28.11 67.87 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.187 -0.605 . . . . 25.0 110.646 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.16 78.41 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -65.21 -38.22 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 122.558 1.171 . . . . 25.0 109.239 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.79 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.524 -0.735 . . . . 25.0 109.404 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -67.88 -44.03 77.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.52 -0.752 . . . . 25.0 111.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.18 -32.27 72.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.578 1.081 . . . . 25.0 109.949 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.73 -24.88 63.62 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mm -77.25 -52.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.97 -27.83 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.41 0.684 . . . . 25.0 112.459 -174.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.1 -32.61 55.39 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 m -119.5 -12.02 10.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.6 49.07 0.98 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.928 0.891 . . . . 25.0 110.697 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.17 58.75 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.441 -0.787 . . . . 25.0 112.09 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -85.21 -6.36 59.28 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.523 -0.308 . . . . 25.0 111.021 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 19.96 71.22 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 116.109 1.204 . . . . 25.0 116.109 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.46 -3.69 59.0 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.692 1.367 . . . . 25.0 114.692 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.72 0.09 76.01 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 116.945 1.538 . . . . 25.0 116.945 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -142.93 151.87 41.43 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.426 1.113 . . . . 25.0 113.045 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.6 mt -81.93 111.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -87.73 172.43 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.147 -1.056 . . . . 25.0 108.147 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -54.25 -49.34 90.9 Favored Pre-proline 0 CA--C 1.565 1.552 0 N-CA-C 115.435 1.643 . . . . 25.0 115.435 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 -23.18 32.48 Favored 'Trans proline' 0 C--N 1.356 0.944 1 C-N-CA 112.801 -4.333 . . . . 25.0 114.311 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -75.51 -33.05 60.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.23 0.538 . . . . 25.0 110.214 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.85 -37.98 85.5 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.393 -0.817 . . . . 25.0 109.126 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.35 -40.51 96.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.305 -0.861 . . . . 25.0 109.295 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -65.87 -37.32 85.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.748 -0.595 . . . . 25.0 111.034 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.1 ttm . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.325 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -61.22 -41.33 96.66 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.58 -0.7 . . . . 25.0 112.484 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.77 -47.65 77.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.25 -0.58 . . . . 25.0 109.984 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.82 95.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.175 0.297 . . . . 25.0 111.536 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.5 -42.32 99.42 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.319 0.581 . . . . 25.0 110.205 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 mtm105 -70.8 -11.23 60.83 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.305 1.224 . . . . 25.0 114.305 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.1 t -68.48 -43.24 83.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 172.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.41 -45.93 12.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.502 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -80.12 62.28 4.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.211 1.005 . . . . 25.0 109.594 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -70.62 -22.05 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.372 -0.831 . . . . 25.0 113.1 -173.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -88.51 -9.41 52.48 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.852 0.358 . . . . 25.0 110.832 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.55 31.38 70.88 Favored Glycine 0 C--O 1.229 -0.178 0 N-CA-C 116.875 1.51 . . . . 25.0 116.875 173.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -92.45 2.76 56.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.24 2.65 73.65 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -138.94 158.09 44.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.322 -0.517 . . . . 25.0 111.428 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.7 mt -115.99 114.34 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 105.857 -1.905 . . . . 25.0 105.857 171.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.56 163.96 20.07 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.85 70.84 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.747 0.784 . . . . 25.0 110.115 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.44 84.91 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.507 -0.77 . . . . 25.0 110.53 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -69.34 -40.13 77.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.14 -0.35 . . . . 25.0 110.237 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -45.21 91.53 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -63.03 -35.5 80.43 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.658 -0.246 . . . . 25.0 110.895 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -60.73 -49.81 75.98 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.96 -45.82 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.361 -0.382 . . . . 25.0 110.696 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.9 mtt -61.52 -40.52 94.93 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.428 0.899 . . . . 25.0 113.428 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 42.3 m -62.79 -38.7 91.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.407 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.87 -28.03 63.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.48 -21.81 52.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.393 -0.367 . . . . 25.0 110.248 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.79 24.36 35.78 Favored Glycine 0 C--O 1.248 0.986 0 O-C-N 123.732 0.645 . . . . 25.0 111.732 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.21 159.24 31.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.776 0.798 . . . . 25.0 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -131.51 88.12 2.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -124.8 158.54 33.11 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 103.137 -2.912 . . . . 25.0 103.137 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -83.11 166.36 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.13 -33.25 74.13 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 121.676 -0.64 . . . . 25.0 110.47 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.89 -35.38 69.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.778 0.323 . . . . 25.0 111.324 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -66.67 -39.57 88.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.136 0.493 . . . . 25.0 110.311 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -68.4 -35.13 69.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 O-C-N 121.321 -0.862 . . . . 25.0 110.404 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -65.09 -41.35 95.09 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.35 -46.28 89.39 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 123.235 0.614 . . . . 25.0 111.357 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtp -61.08 -38.28 85.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.309 0.576 . . . . 25.0 111.464 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -72.98 -41.44 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -64.43 -35.19 80.11 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.24 -14.28 60.9 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.816 0.734 . . . . 25.0 110.977 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.78 -28.67 13.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.64 -0.255 . . . . 25.0 111.469 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -80.38 76.92 7.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.591 0.71 . . . . 25.0 111.929 -175.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.9 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 123.943 0.897 . . . . 25.0 111.205 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.68 -10.23 57.5 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.21 1.189 . . . . 25.0 114.21 -176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.05 16.54 79.66 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 118.049 1.98 . . . . 25.0 118.049 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.07 -4.84 59.05 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.56 6.24 68.28 Favored Glycine 0 C--O 1.249 1.091 0 O-C-N 121.316 -0.865 . . . . 25.0 113.53 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.84 164.38 27.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 121.48 0.657 . . . . 25.0 109.883 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.3 t -101.66 115.18 42.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -74.98 174.09 9.79 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.09 -46.86 88.9 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.03 -1.044 . . . . 25.0 112.246 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.77 -38.29 90.48 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 121.93 0.871 . . . . 25.0 110.917 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.29 -26.67 64.85 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -67.76 -28.95 68.06 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.618 -0.677 . . . . 25.0 110.315 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.62 -39.85 70.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -62.47 -41.87 99.08 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.805 -0.442 . . . . 25.0 109.805 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.5 ttp -68.94 -19.15 64.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.033 0.444 . . . . 25.0 111.522 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 ttm . . . . . 0 CA--C 1.539 0.557 0 O-C-N 121.832 -0.543 . . . . 25.0 110.839 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 C--O 1.219 -0.506 0 N-CA-C 110.678 -0.119 . . . . 25.0 110.678 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.51 -36.74 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.75 -39.57 76.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.123 -0.631 . . . . 25.0 109.712 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.002 0.43 . . . . 25.0 110.683 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.06 -45.38 81.55 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 t -62.63 -33.9 75.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.676 0.75 . . . . 25.0 110.349 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.03 -24.21 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.69 -35.57 14.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.98 -0.45 . . . . 25.0 110.082 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.77 84.27 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.107 0.956 . . . . 25.0 110.851 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.27 -21.42 64.81 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.442 1.275 . . . . 25.0 114.442 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -104.57 -9.61 18.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 14.01 82.62 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 116.916 1.526 . . . . 25.0 116.916 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -82.5 -1.23 49.8 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 6.65 68.82 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.838 0.695 . . . . 25.0 114.838 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -134.55 154.6 51.38 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 117.705 0.753 . . . . 25.0 110.677 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.3 mt -113.49 123.31 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -97.67 167.2 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -58.71 -33.46 70.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.633 0.73 . . . . 25.0 110.989 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -68.0 -38.46 82.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.02 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.66 -37.48 70.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.62 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.68 -41.92 99.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.0 88.75 Favored Glycine 0 C--O 1.227 -0.324 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.429 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.7 m -65.04 -41.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.988 -0.713 . . . . 25.0 109.755 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.53 -42.58 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -63.46 -38.41 91.03 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.93 -0.481 . . . . 25.0 111.492 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -72.65 -24.14 61.0 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.941 -0.474 . . . . 25.0 112.028 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -70.52 -30.22 66.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 mt -82.09 -4.74 57.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.679 -0.691 . . . . 25.0 110.368 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.57 4.01 70.85 Favored Glycine 0 N--CA 1.458 0.146 0 N-CA-C 115.136 0.814 . . . . 25.0 115.136 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -77.13 159.58 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.142 -0.622 . . . . 25.0 111.873 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -131.84 70.68 80.9 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 122.5 0.32 . . . . 25.0 110.987 174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.72 167.46 26.31 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 118.458 -0.561 . . . . 25.0 111.184 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -87.34 162.67 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.722 -1.585 . . . . 25.0 106.722 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.87 -30.04 70.58 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.443 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.39 89.97 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.426 -0.171 . . . . 25.0 111.254 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.09 -42.91 88.69 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.832 0.825 . . . . 25.0 108.998 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.56 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.764 -0.585 . . . . 25.0 109.804 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.94 -41.87 77.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.603 -0.713 . . . . 25.0 112.353 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -31.51 66.93 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.992 1.269 . . . . 25.0 109.825 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -64.7 -24.94 67.73 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.914 -0.314 . . . . 25.0 111.384 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mm -81.4 -50.12 17.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.85 -32.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.328 0.651 . . . . 25.0 112.634 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.51 -22.72 56.06 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.23 0.538 . . . . 25.0 112.408 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -115.87 -32.05 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.198 0.523 . . . . 25.0 111.364 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -79.37 59.63 2.93 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.704 0.802 . . . . 25.0 112.74 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -23.39 66.54 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.107 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -78.99 -16.93 56.24 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.58 13.06 83.31 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 117.397 1.719 . . . . 25.0 117.397 173.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -80.18 -0.34 35.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.503 1.652 . . . . 25.0 114.323 -176.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.66 1.56 82.93 Favored Glycine 0 C--O 1.244 0.728 0 N-CA-C 115.4 0.92 . . . . 25.0 115.4 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -133.9 160.49 37.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.7 mt -104.63 107.82 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 105.095 -2.187 . . . . 25.0 105.095 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -88.26 -179.47 6.14 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.89 -46.98 99.44 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 116.287 1.958 . . . . 25.0 116.287 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.62 -21.35 25.69 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 112.957 -4.229 . . . . 25.0 113.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -67.24 -37.83 84.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -39.48 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 175.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.9 m -67.39 -37.74 83.59 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.178 0.513 . . . . 25.0 111.135 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.1 ttp . . . . . 0 C--N 1.323 -0.56 0 O-C-N 121.255 -0.903 . . . . 25.0 109.926 177.2 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.0 mt . . . . . 0 C--O 1.236 0.355 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -67.21 -34.42 77.45 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.63 -44.28 96.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 118.664 0.666 . . . . 25.0 109.658 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.92 87.88 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.358 0.599 . . . . 25.0 110.423 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.37 -41.6 98.75 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.143 -0.481 . . . . 25.0 110.158 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.74 -19.14 65.78 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.79 -39.55 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -98.24 -36.9 9.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -80.54 78.37 7.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.75 0.786 . . . . 25.0 109.773 177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -70.44 -24.03 62.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.141 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -70.91 -26.4 63.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.185 0.517 . . . . 25.0 110.635 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 20.95 76.79 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.881 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -94.25 1.46 55.98 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.309 1.596 . . . . 25.0 115.309 -172.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.25 0.92 62.95 Favored Glycine 0 N--CA 1.458 0.159 0 N-CA-C 115.926 1.131 . . . . 25.0 115.926 176.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -133.93 145.71 49.84 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.222 0.511 . . . . 25.0 109.932 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -105.78 126.37 61.14 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 105.01 -2.219 . . . . 25.0 105.01 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.8 p -110.34 168.13 9.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.533 -0.729 . . . . 25.0 110.777 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.42 76.92 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.218 0.532 . . . . 25.0 110.573 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.39 70.12 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.803 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -86.76 -38.67 16.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 25.0 111.102 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.17 -40.94 97.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -24.75 63.79 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 120.308 -0.557 . . . . 25.0 110.878 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -43.29 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.27 -42.64 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.999 -0.546 . . . . 25.0 109.612 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -62.09 -41.94 98.7 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.52 0.193 . . . . 25.0 111.52 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.6 m -62.6 -38.8 91.55 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.689 -0.632 . . . . 25.0 110.395 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.67 -23.53 60.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.769 0.285 . . . . 25.0 111.769 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.02 -19.33 58.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.913 0.387 . . . . 25.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.46 -11.63 36.16 Favored Glycine 0 CA--C 1.511 -0.159 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.652 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.46 152.94 44.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.232 0.539 . . . . 25.0 111.274 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -136.56 61.15 1.64 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.348 0.594 . . . . 25.0 111.901 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.4 163.29 27.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -82.71 161.7 22.02 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 105.808 -1.923 . . . . 25.0 105.808 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.49 -30.74 71.81 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.736 -0.602 . . . . 25.0 109.944 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -68.08 -36.42 79.79 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.191 0.52 . . . . 25.0 111.585 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.7 -36.33 83.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.695 0.76 . . . . 25.0 108.986 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.73 -32.5 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.07 -40.45 96.29 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.13 -38.75 87.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.527 -0.306 . . . . 25.0 111.681 173.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.5 mtt -67.1 -29.91 69.79 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.869 0.366 . . . . 25.0 111.602 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.3 mm -78.91 -39.19 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.68 -33.09 69.76 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 115.2 1.556 . . . . 25.0 115.2 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -68.96 -18.72 64.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.108 -1.037 . . . . 25.0 111.224 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.65 -7.96 15.54 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.65 77.93 7.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.922 0.868 . . . . 25.0 110.619 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.29 -42.5 93.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.181 -0.918 . . . . 25.0 112.374 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.51 -4.55 57.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.79 24.25 72.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.661 1.024 . . . . 25.0 115.661 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -85.07 1.34 48.19 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.684 1.242 . . . . 25.0 113.456 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.35 8.95 84.41 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-O 121.71 0.616 . . . . 25.0 113.601 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -139.7 164.44 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 25.0 110.603 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.97 116.02 42.34 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 104.966 -2.235 . . . . 25.0 104.966 170.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -87.19 171.75 10.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -59.5 -44.31 93.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -41.16 93.49 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.634 -0.666 . . . . 25.0 110.932 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.18 -33.81 76.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.099 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -35.86 81.32 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.921 -0.487 . . . . 25.0 110.796 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.25 -39.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 175.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -39.07 93.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.018 -0.426 . . . . 25.0 110.501 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttt -69.06 -17.08 63.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.615 0.766 . . . . 25.0 111.595 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 C--N 1.322 -0.601 0 O-C-N 121.878 -0.514 . . . . 25.0 111.698 179.178 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 119.625 -0.226 . . . . 25.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -69.25 -40.22 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.564 -0.71 . . . . 25.0 109.324 174.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -67.21 -42.6 83.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.98 74.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.157 -0.474 . . . . 25.0 111.321 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -62.53 -45.36 93.31 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 122.278 -0.264 . . . . 25.0 110.621 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -71.05 -15.67 62.55 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.422 0.629 . . . . 25.0 112.618 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -32.83 71.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 174.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.54 -44.47 9.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 25.0 111.52 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -78.81 93.32 4.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.772 0.796 . . . . 25.0 109.938 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -78.74 -24.21 44.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.547 -0.751 . . . . 25.0 110.901 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.73 -37.18 67.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.052 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.7 19.82 65.03 Favored Glycine 0 C--O 1.223 -0.545 0 CA-C-N 115.806 -0.634 . . . . 25.0 112.434 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.97 -13.58 38.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.4 6.35 41.68 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.917 0.727 . . . . 25.0 114.917 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -133.97 155.8 49.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.436 0.618 . . . . 25.0 110.527 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mt -119.71 129.38 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 176.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -114.32 173.77 6.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -55.95 -36.75 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.093 0.406 . . . . 25.0 111.99 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -59.76 -40.59 88.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 25.0 111.028 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.17 -43.31 24.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.982 -177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -44.88 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -34.63 90.44 Favored Glycine 0 C--O 1.216 -0.988 0 CA-C-N 115.688 -0.687 . . . . 25.0 113.031 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -61.22 -44.16 97.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.386 1.093 . . . . 25.0 109.441 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.81 -41.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.769 -0.372 . . . . 25.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmt -64.97 -36.49 84.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.683 -0.636 . . . . 25.0 111.856 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -73.48 -23.88 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.632 -0.667 . . . . 25.0 110.858 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -20.63 61.44 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.068 0.461 . . . . 25.0 109.778 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.92 7.49 39.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.123 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 4.2 88.06 Favored Glycine 0 C--O 1.23 -0.113 0 N-CA-C 114.561 0.584 . . . . 25.0 114.561 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -82.04 161.59 22.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -133.5 64.07 67.17 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.941 -0.475 . . . . 25.0 111.824 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.21 169.02 23.42 Favored 'Trans proline' 0 C--N 1.351 0.676 0 O-C-N 121.867 0.404 . . . . 25.0 112.79 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.1 p -95.22 160.5 14.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.29 -24.46 62.15 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.476 -0.765 . . . . 25.0 111.224 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.82 -39.02 64.37 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 121.234 0.54 . . . . 25.0 109.995 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.63 -44.04 97.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.16 -0.927 . . . . 25.0 109.144 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.72 -33.37 75.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.992 -0.549 . . . . 25.0 110.318 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -69.84 -40.53 75.76 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.925 0.713 . . . . 25.0 112.925 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -70.1 -31.46 69.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.88 1.218 . . . . 25.0 110.552 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.6 mtt -66.7 -28.08 68.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.276 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.48 -43.13 26.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.2 -32.97 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.4 0.28 . . . . 25.0 111.235 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.31 -25.38 61.83 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.28 -9.88 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -86.31 56.67 4.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.861 0.839 . . . . 25.0 110.853 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -20.53 63.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -89.09 -8.07 54.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.14 16.41 70.87 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 116.15 1.22 . . . . 25.0 116.15 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.97 -1.84 55.42 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.074 1.437 . . . . 25.0 114.139 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.24 -3.17 85.56 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 116.776 1.471 . . . . 25.0 116.776 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -136.7 160.45 38.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.088 0.944 . . . . 25.0 111.015 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.0 mt -88.45 115.39 28.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -92.04 172.47 8.42 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -54.14 -45.9 98.96 Favored Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 117.296 2.332 . . . . 25.0 117.296 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.32 -22.96 24.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 113.335 -3.976 . . . . 25.0 113.484 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.61 -31.53 57.49 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.51 -37.3 84.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.88 -39.71 92.86 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -69.31 -39.5 78.23 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.135 0.493 . . . . 25.0 111.047 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.5 ttp . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 25.0 109.487 177.602 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.9 mt . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -56.31 -44.65 80.12 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.388 0.675 . . . . 25.0 109.613 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -47.15 79.16 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.024 -0.271 . . . . 25.0 110.773 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.57 83.24 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.186 0.517 . . . . 25.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.51 -42.44 82.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -66.51 -15.83 63.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -60.6 -39.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -103.29 -35.63 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -81.91 69.45 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -64.95 -30.24 71.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.051 1.13 . . . . 25.0 114.051 -170.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -91.56 -2.39 57.16 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.92 12.54 68.19 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 116.463 1.345 . . . . 25.0 116.463 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.94 2.03 15.94 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.09 -0.92 73.06 Favored Glycine 0 CA--C 1.516 0.129 0 N-CA-C 115.422 0.929 . . . . 25.0 115.422 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -133.68 139.2 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -97.54 114.9 35.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.249 -1.76 . . . . 25.0 106.249 172.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.6 p -88.85 162.16 16.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.85 76.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.92 0.39 . . . . 25.0 110.787 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.13 95.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 25.0 110.682 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.43 -42.05 79.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 25.0 111.0 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.75 -48.57 80.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -61.44 -34.82 76.04 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -59.73 -49.33 78.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.236 0.541 . . . . 25.0 110.214 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.34 -42.62 96.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.342 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.2 mtp -64.45 -37.31 87.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 m -62.17 -37.39 85.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.997 0.427 . . . . 25.0 110.041 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -72.3 -23.83 61.24 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.829 -0.544 . . . . 25.0 110.752 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.16 -13.43 59.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 25.0 110.036 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.11 51.55 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-N 116.181 -0.463 . . . . 25.0 113.184 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.75 151.26 43.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.113 0.483 . . . . 25.0 111.303 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.81 53.32 2.01 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.087 0.47 . . . . 25.0 111.849 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.14 159.41 34.72 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.282 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.1 p -85.31 171.02 12.22 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.06 -37.07 81.35 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -73.23 -35.2 66.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.823 -0.626 . . . . 25.0 112.152 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -66.82 -36.96 83.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.11 -35.57 53.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.25 -41.32 98.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.75 -33.02 74.73 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.562 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.6 mtp -68.58 -23.73 64.52 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.8 mm -82.07 -40.16 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -58.52 -32.46 68.87 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.179 1.177 . . . . 25.0 114.179 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -69.01 -10.89 59.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.901 0.334 . . . . 25.0 111.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -121.3 -25.3 5.26 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.61 83.42 4.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.7 mt -68.14 -43.95 84.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.213 -0.903 . . . . 25.0 110.672 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -81.9 -13.31 57.74 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.95 16.88 78.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 116.789 1.476 . . . . 25.0 116.789 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -83.44 -0.13 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 9.87 79.04 Favored Glycine 0 C--O 1.239 0.415 0 C-N-CA 121.412 -0.423 . . . . 25.0 113.496 177.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -137.39 166.83 22.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -105.39 116.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -81.3 170.57 15.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -59.96 -48.19 82.73 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -66.15 -36.01 81.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.454 0.645 . . . . 25.0 111.885 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.76 -36.32 83.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.311 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.41 -37.86 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.255 -0.278 . . . . 25.0 110.285 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.64 -42.17 94.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.28 -44.02 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.961 -0.462 . . . . 25.0 111.925 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.7 ptm -65.98 -18.82 65.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.105 0.479 . . . . 25.0 111.727 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.0 ttm . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.686 178.384 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 C--O 1.224 -0.279 0 N-CA-C 110.526 -0.176 . . . . 25.0 110.526 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -71.32 -38.08 71.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.197 -0.314 . . . . 25.0 110.445 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.52 -41.1 80.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.462 -0.57 . . . . 25.0 109.462 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.5 81.31 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.985 0.421 . . . . 25.0 110.689 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.26 -43.21 92.01 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.485 -0.561 . . . . 25.0 109.485 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -67.82 -15.31 63.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.651 0.262 . . . . 25.0 111.648 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -85.95 -26.49 25.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.659 0.742 . . . . 25.0 109.65 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -83.45 -40.24 19.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -72.32 111.57 7.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -82.15 -17.36 46.61 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.17 -24.87 17.35 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.186 -0.916 . . . . 25.0 110.34 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.11 81.94 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.934 -0.575 . . . . 25.0 114.35 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.77 -22.11 34.39 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.882 1.438 . . . . 25.0 114.882 -174.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.18 -1.44 14.55 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.4 p -133.25 151.44 51.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 117.479 0.64 . . . . 25.0 111.976 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -110.89 127.63 67.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.166 -1.79 . . . . 25.0 106.166 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -112.02 172.17 7.06 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 110.14 -0.319 . . . . 25.0 110.14 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.14 -40.24 67.22 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -62.54 -38.74 91.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.134 0.492 . . . . 25.0 111.801 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.17 -44.22 60.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.044 0.45 . . . . 25.0 110.677 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.91 -41.06 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.69 -33.96 88.64 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.663 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -63.0 -45.29 93.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -67.36 -45.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.737 0.303 . . . . 25.0 110.435 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mmm -60.47 -44.68 95.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.019 0.438 . . . . 25.0 112.023 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -70.29 -31.67 69.11 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.534 -0.729 . . . . 25.0 111.043 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -63.98 -34.78 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.09 8.01 11.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.216 -0.447 . . . . 25.0 111.963 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.12 10.98 84.28 Favored Glycine 0 C--O 1.225 -0.433 0 N-CA-C 114.874 0.71 . . . . 25.0 114.874 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -77.62 -3.2 39.69 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 117.764 0.782 . . . . 25.0 111.742 -176.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 31.72 51.72 0.63 Allowed Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 118.186 2.661 . . . . 25.0 118.186 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -82.0 164.84 17.56 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 115.817 -2.322 . . . . 25.0 114.574 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.6 p -96.07 165.46 12.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 171.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -69.66 -18.99 63.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.97 -40.67 60.6 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 110.474 -0.195 . . . . 25.0 110.474 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.21 -40.53 94.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.344 1.069 . . . . 25.0 109.029 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.68 -28.05 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.289 -0.868 . . . . 25.0 110.607 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -72.53 -47.24 49.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 119.296 -0.383 . . . . 25.0 111.489 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 -31.98 70.14 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 119.586 -0.846 . . . . 25.0 111.829 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.98 -27.07 67.14 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.101 -0.375 . . . . 25.0 111.642 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -79.85 -42.19 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.99 -31.48 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 117.848 0.295 . . . . 25.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.04 -17.05 56.13 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 t -118.56 -25.26 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 120.896 0.379 . . . . 25.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.14 53.94 1.02 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.437 1.273 . . . . 25.0 114.437 -175.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -14.01 62.17 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.063 0.458 . . . . 25.0 112.172 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -85.78 -16.34 39.14 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 123.601 0.76 . . . . 25.0 111.822 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.13 88.78 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 117.86 1.904 . . . . 25.0 117.86 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -1.12 35.08 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.495 1.647 . . . . 25.0 114.909 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.1 -0.49 87.35 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 117.228 1.651 . . . . 25.0 117.228 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.7 p -138.79 168.35 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.791 0.795 . . . . 25.0 111.182 -176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -103.14 103.23 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.16 171.03 14.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -53.5 -49.64 87.46 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 114.779 1.4 . . . . 25.0 114.779 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.74 -24.94 54.13 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 114.385 -3.277 . . . . 25.0 114.428 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -78.72 -27.0 44.81 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.817 -0.552 . . . . 25.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.94 -38.03 82.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 174.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.37 -40.9 94.14 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.921 174.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -65.02 -36.97 86.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.012 0.434 . . . . 25.0 110.884 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.9 ttp . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 177.016 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.235 0.299 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -66.83 -40.6 88.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.67 177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -39.49 85.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.51 91.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.52 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -69.26 -15.06 63.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.62 -42.46 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 172.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -78.43 -47.17 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.147 0.499 . . . . 25.0 109.958 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -84.39 65.42 8.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.014 0.912 . . . . 25.0 109.253 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -66.75 -20.19 65.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -91.44 -4.09 55.97 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.33 23.11 76.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 117.874 1.909 . . . . 25.0 117.874 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.0 -25.95 65.66 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.183 1.491 . . . . 25.0 113.482 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.46 3.61 69.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.477 -1.449 . . . . 25.0 109.477 -167.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -142.74 134.49 26.77 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.478 0.711 . . . . 25.0 111.193 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.83 133.38 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.5 p -109.74 168.58 9.31 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.238 -0.282 . . . . 25.0 110.238 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.69 79.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.945 0.402 . . . . 25.0 111.532 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.02 71.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.262 0.553 . . . . 25.0 111.504 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -83.46 -42.76 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.083 -0.508 . . . . 25.0 110.619 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.19 -44.06 97.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.191 -0.3 . . . . 25.0 110.191 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.03 66.33 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.73 -0.606 . . . . 25.0 111.59 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -68.07 -42.85 79.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.05 -45.4 94.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.2 mtt -62.47 -35.04 78.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.202 0.815 . . . . 25.0 113.202 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.7 m -59.01 -41.23 87.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.66 -25.56 60.33 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.803 0.297 . . . . 25.0 111.803 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -74.32 -19.95 60.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.47 14.03 24.82 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.124 -0.489 . . . . 25.0 114.07 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.59 163.07 28.15 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.86 37.75 3.24 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 122.132 0.968 . . . . 25.0 109.89 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.71 163.22 24.68 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.217 -1.356 . . . . 25.0 108.298 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -92.78 163.17 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -32.85 70.26 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.24 -40.63 77.79 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.501 0.72 . . . . 25.0 112.278 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.62 -38.96 90.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.722 0.773 . . . . 25.0 109.402 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.39 -35.31 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.165 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.41 -39.1 93.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.347 0.594 . . . . 25.0 110.303 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.08 -28.88 65.78 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.507 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.0 mtt -72.64 -23.66 60.94 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.706 -0.621 . . . . 25.0 111.656 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.96 -41.64 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 171.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -65.84 -31.3 72.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.104 1.52 . . . . 25.0 115.104 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -70.54 -17.87 62.93 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.807 -0.757 . . . . 25.0 111.344 177.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.75 -1.63 29.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.153 0.502 . . . . 25.0 110.502 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -86.93 80.97 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.811 0.815 . . . . 25.0 112.109 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.55 -42.87 90.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.447 -0.797 . . . . 25.0 111.728 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -88.81 -4.97 58.36 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.433 1.272 . . . . 25.0 114.433 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.66 18.77 76.99 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 116.461 1.344 . . . . 25.0 116.461 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -85.91 -2.11 57.95 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.34 8.9 85.7 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 114.529 0.572 . . . . 25.0 114.529 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -136.63 169.86 17.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.285 0.543 . . . . 25.0 109.658 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.1 t -101.33 117.13 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.08 168.05 20.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.571 -1.641 . . . . 25.0 106.571 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.24 -46.2 86.37 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 112.837 0.681 . . . . 25.0 112.837 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.56 -37.64 87.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.484 -0.76 . . . . 25.0 111.509 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.27 -37.88 88.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.68 -41.17 92.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 25.0 110.986 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.97 -41.27 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.22 -48.03 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.029 -0.42 . . . . 25.0 111.69 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.2 ptm -67.87 -21.13 65.18 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.742 -0.599 . . . . 25.0 111.747 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.3 tpp . . . . . 0 C--O 1.239 0.503 0 O-C-N 122.094 -0.379 . . . . 25.0 111.27 176.655 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 . . . . . 0 C--O 1.223 -0.312 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -69.17 -40.54 78.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -73.49 -35.9 65.72 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.96 -0.696 . . . . 25.0 109.482 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.05 73.45 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.734 0.302 . . . . 25.0 110.719 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -68.41 -44.17 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -65.98 -22.48 66.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.992 0.425 . . . . 25.0 111.565 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.9 tp -62.72 -36.31 82.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 25.0 109.486 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -89.93 -39.14 13.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.094 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -79.68 80.83 6.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.899 0.856 . . . . 25.0 110.392 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.67 -21.54 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.482 1.289 . . . . 25.0 114.482 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -112.34 0.54 15.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.773 0.657 . . . . 25.0 112.773 -175.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 18.26 75.95 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -80.1 -1.15 38.85 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.091 0.946 . . . . 25.0 113.182 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.09 -0.26 75.43 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.906 0.722 . . . . 25.0 114.906 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -134.86 155.46 50.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 117.148 0.474 . . . . 25.0 111.385 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -108.95 118.26 56.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.726 -1.213 . . . . 25.0 107.726 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.0 p -91.97 168.75 11.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.654 -0.703 . . . . 25.0 109.407 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.2 p -61.98 -31.83 72.23 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.45 -47.89 80.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.424 0.631 . . . . 25.0 109.708 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.2 -40.18 68.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.465 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.32 -43.29 99.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -34.26 88.78 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.764 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -44.95 94.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.399 0.6 . . . . 25.0 109.769 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.62 -42.21 86.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.991 -0.283 . . . . 25.0 110.348 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.6 mtt -62.91 -39.22 93.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.817 -0.552 . . . . 25.0 112.43 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.85 -21.64 60.03 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.683 -0.636 . . . . 25.0 111.37 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -73.38 -26.27 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.036 0.446 . . . . 25.0 109.876 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -90.98 0.8 57.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.716 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.34 0.09 67.93 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 116.624 1.41 . . . . 25.0 116.624 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -79.14 151.74 31.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 118.793 1.297 . . . . 25.0 109.275 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -115.6 60.54 1.6 Allowed Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.016 0.527 . . . . 25.0 112.004 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.66 153.98 49.19 Favored 'Trans proline' 0 C--O 1.25 1.111 0 C-N-CA 115.623 -2.452 . . . . 25.0 114.806 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -82.03 165.69 20.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.782 -1.099 . . . . 25.0 109.022 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -65.68 -32.01 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.957 -0.465 . . . . 25.0 111.202 177.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.52 80.24 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.819 0.342 . . . . 25.0 110.386 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.19 -46.0 89.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.827 0.822 . . . . 25.0 109.598 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.61 -30.0 67.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.323 -0.853 . . . . 25.0 110.755 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.72 -48.51 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.11 -38.33 82.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.746 0.307 . . . . 25.0 111.461 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.86 -29.52 70.7 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.906 0.336 . . . . 25.0 111.906 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.75 -44.42 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -58.4 -32.53 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 122.628 0.371 . . . . 25.0 110.974 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.38 -17.66 32.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.062 1.504 . . . . 25.0 115.062 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -13.58 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.897 1.073 . . . . 25.0 113.897 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -82.99 59.85 5.13 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.496 0.665 . . . . 25.0 112.491 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.86 67.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.255 0.55 . . . . 25.0 111.832 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -81.18 -18.73 45.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.609 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.48 82.24 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 117.945 1.938 . . . . 25.0 117.945 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -80.34 3.07 22.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.418 1.609 . . . . 25.0 114.545 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.9 3.58 87.8 Favored Glycine 0 C--O 1.239 0.457 0 N-CA-C 115.271 0.868 . . . . 25.0 115.271 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -139.47 164.71 29.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.33 0.565 . . . . 25.0 111.518 -177.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.19 114.01 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 105.987 -1.857 . . . . 25.0 105.987 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.24 174.0 8.09 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -55.08 -46.63 99.63 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 116.469 2.026 . . . . 25.0 116.469 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.53 -22.22 24.87 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.404 -3.931 . . . . 25.0 113.635 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.83 -31.85 57.18 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.77 -37.47 82.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -61.6 -41.81 97.98 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.8 m -66.78 -38.53 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.614 0.721 . . . . 25.0 111.495 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.9 tmm? . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 123.383 0.673 . . . . 25.0 109.787 178.835 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -66.69 -42.81 85.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.036 -0.415 . . . . 25.0 111.09 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.01 -47.34 86.9 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.63 82.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.392 . . . . 25.0 111.7 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.89 -40.81 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.013 0.435 . . . . 25.0 109.907 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -70.85 -19.17 62.67 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.15 -37.82 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.293 -1.002 . . . . 25.0 108.293 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -86.17 -45.22 11.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.196 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -84.48 71.96 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.706 0.765 . . . . 25.0 110.635 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -71.54 -15.82 62.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.698 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -72.19 -26.18 61.96 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.98 20.34 77.75 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.76 2.62 56.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.87 3.81 70.19 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 114.786 0.674 . . . . 25.0 114.786 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -139.42 140.96 37.5 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.855 0.328 . . . . 25.0 110.51 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt -99.79 122.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 172.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.7 p -89.29 164.74 14.8 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.846 0.355 . . . . 25.0 110.084 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.17 76.17 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.38 96.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.202 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.17 -39.8 78.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.452 -0.155 . . . . 25.0 110.736 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.38 -45.1 89.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.415 0.626 . . . . 25.0 109.369 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -59.6 -40.3 87.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.591 -0.731 . . . . 25.0 110.707 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.71 -48.42 79.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.382 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.48 -45.42 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mtm -64.02 -37.81 88.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 55.9 m -59.84 -38.75 82.95 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.196 -0.315 . . . . 25.0 110.242 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.65 -25.8 61.41 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 122.107 -0.371 . . . . 25.0 111.452 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.2 mt -76.82 -14.66 59.89 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.46 -8.76 57.02 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 111.887 -0.485 . . . . 25.0 111.887 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.02 148.53 45.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.356 0.598 . . . . 25.0 110.861 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -136.02 56.4 1.82 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.103 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.35 159.94 33.66 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.6 -1.629 . . . . 25.0 106.6 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.8 p -83.5 167.14 17.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.72 -33.73 74.55 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 121.757 0.789 . . . . 25.0 110.504 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.83 -43.5 83.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.923 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -36.17 83.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.251 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.16 -41.19 86.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.64 -41.89 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.922 0.391 . . . . 25.0 110.801 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.74 -43.46 85.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.289 0.566 . . . . 25.0 110.687 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.7 ttm -64.07 -40.03 95.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.28 -41.32 78.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.496 -0.774 . . . . 25.0 109.171 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -62.1 -30.27 70.9 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -175.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.08 -17.21 62.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.143 0.497 . . . . 25.0 111.784 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.83 -20.04 14.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.729 0.3 . . . . 25.0 111.478 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -82.76 81.71 8.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -64.23 -44.48 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.761 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -85.69 -8.27 58.3 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -174.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.58 17.54 80.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 116.204 1.242 . . . . 25.0 116.204 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -82.38 0.04 43.75 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.582 1.191 . . . . 25.0 113.706 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.43 5.12 85.3 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.66 -0.305 . . . . 25.0 113.731 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -135.67 166.63 22.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.365 -0.491 . . . . 25.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -101.63 115.18 42.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -77.62 170.42 16.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -59.83 -43.16 94.7 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.645 -0.659 . . . . 25.0 112.407 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.31 -36.37 79.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.863 0.84 . . . . 25.0 111.147 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.61 -33.67 74.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.388 -0.823 . . . . 25.0 110.358 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.42 -41.54 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.97 -39.86 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.96 -51.28 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.807 -0.558 . . . . 25.0 110.738 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.36 -17.97 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.816 -0.552 . . . . 25.0 112.081 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 121.81 -0.556 . . . . 25.0 109.535 176.805 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 . . . . . 0 C--O 1.224 -0.277 0 N-CA-C 111.426 0.158 . . . . 25.0 111.426 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.0 -41.15 71.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.189 -0.319 . . . . 25.0 110.547 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.56 -35.28 67.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.852 -0.739 . . . . 25.0 109.351 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.11 74.7 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.004 0.431 . . . . 25.0 110.138 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -67.77 -43.86 78.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.127 -0.358 . . . . 25.0 110.189 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -65.54 -21.32 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.01 -39.91 91.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -88.29 -37.92 15.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.545 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.96 85.94 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.015 0.912 . . . . 25.0 111.204 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -69.91 -24.26 63.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 25.0 112.057 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.09 -27.89 54.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 121.109 -0.236 . . . . 25.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.53 22.99 76.52 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.429 -0.415 . . . . 25.0 112.966 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -102.25 -0.59 32.73 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.233 1.197 . . . . 25.0 114.233 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.98 8.4 61.77 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.724 0.65 . . . . 25.0 114.724 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -130.29 155.8 45.71 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.395 0.597 . . . . 25.0 111.007 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.6 mt -119.27 120.2 63.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 169.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -109.28 171.03 7.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 t -55.61 -33.79 64.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -58.83 -45.52 89.81 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.733 0.778 . . . . 25.0 110.544 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.39 -38.82 59.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.491 -0.777 . . . . 25.0 111.332 -175.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.79 -44.87 96.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.1 91.61 Favored Glycine 0 C--O 1.223 -0.564 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.394 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.2 m -64.34 -43.2 95.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.019 -0.695 . . . . 25.0 110.509 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.59 -40.5 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 25.0 110.058 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.7 -40.27 94.43 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.937 -0.477 . . . . 25.0 110.967 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.61 -18.19 61.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.391 -0.818 . . . . 25.0 112.274 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -72.46 -26.91 62.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 171.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -92.0 5.28 50.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.895 0.878 . . . . 25.0 110.051 176.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.11 -7.06 68.39 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 114.971 0.748 . . . . 25.0 114.971 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -79.53 128.52 33.48 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.25 68.19 79.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 25.0 111.387 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.83 172.46 15.3 Favored 'Trans proline' 0 C--O 1.242 0.719 0 O-C-N 121.836 0.387 . . . . 25.0 112.256 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -77.23 166.34 23.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.479 0.657 . . . . 25.0 110.001 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -65.97 -27.51 68.2 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.06 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.443 -0.16 . . . . 25.0 110.618 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.65 -41.33 96.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.917 0.865 . . . . 25.0 108.958 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.14 -34.8 78.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.909 -0.495 . . . . 25.0 110.371 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -67.19 -45.72 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.44 -31.2 69.38 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.313 -0.955 . . . . 25.0 111.398 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 81.2 mtp -69.95 -28.34 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 25.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.6 mm -73.39 -46.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 174.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.56 -29.01 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.923 0.489 . . . . 25.0 112.247 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -23.71 51.97 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.88 -34.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.084 0.468 . . . . 25.0 111.012 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -78.98 63.4 3.65 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.96 0.904 . . . . 25.0 113.429 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.69 67.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.565 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.13 -16.21 53.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 11.5 85.47 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.055 1.982 . . . . 25.0 118.055 173.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -77.21 4.93 9.35 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.473 1.636 . . . . 25.0 114.988 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.15 3.65 88.78 Favored Glycine 0 C--O 1.245 0.803 0 N-CA-C 114.248 0.459 . . . . 25.0 114.248 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.5 p -140.66 166.34 25.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.532 0.682 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -112.65 102.95 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 175.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -77.18 176.55 8.63 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -54.55 -47.12 98.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -65.45 -26.85 54.86 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 114.29 -3.34 . . . . 25.0 113.86 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -75.96 -28.93 58.1 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.985 -0.447 . . . . 25.0 110.154 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.27 -37.06 84.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.896 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 m -64.5 -38.06 89.71 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 122.013 -0.43 . . . . 25.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.5 ttp . . . . . 0 C--N 1.324 -0.542 0 O-C-N 121.793 -0.567 . . . . 25.0 110.218 178.49 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--O 1.227 -0.125 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -65.11 -40.43 94.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.685 0.254 . . . . 25.0 111.685 -178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.49 -46.19 84.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.874 0.369 . . . . 25.0 110.701 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.55 -40.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.514 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -63.78 -25.71 68.3 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.59 -43.17 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -82.68 -38.69 23.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 25.0 110.91 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -88.1 54.98 3.26 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.134 0.969 . . . . 25.0 109.146 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -2.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 115.264 1.579 . . . . 25.0 115.264 -175.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 p30 -114.93 1.51 14.04 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.41 41.0 86.56 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -83.18 -27.13 30.26 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.545 1.173 . . . . 25.0 111.459 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.1 4.03 69.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.995 -1.642 . . . . 25.0 108.995 -167.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -142.05 137.51 31.11 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 123.797 0.839 . . . . 25.0 110.246 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -96.11 114.22 32.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.8 p -84.11 164.46 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.705 -0.622 . . . . 25.0 110.407 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.35 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.202 0.525 . . . . 25.0 110.01 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.61 78.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.069 0.461 . . . . 25.0 111.506 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.04 -41.16 64.49 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.114 -0.366 . . . . 25.0 110.88 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.93 -42.46 97.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -58.07 -37.84 75.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 25.0 111.38 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.58 -46.88 77.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.062 -0.399 . . . . 25.0 110.924 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.64 -45.91 96.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.387 -0.598 . . . . 25.0 109.387 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mtt -59.52 -37.71 79.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.8 m -62.25 -40.0 94.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -72.46 -26.45 61.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.774 0.321 . . . . 25.0 111.141 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.79 -14.03 59.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.03 0.443 . . . . 25.0 110.031 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.81 26.16 35.84 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.245 -0.434 . . . . 25.0 113.212 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 162.9 28.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.441 0.621 . . . . 25.0 111.821 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -131.17 35.57 3.9 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.627 0.727 . . . . 25.0 110.651 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.95 156.28 26.05 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.282 -1.326 . . . . 25.0 109.133 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.4 p -83.87 165.44 18.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 177.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.0 -34.07 77.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.86 -35.46 74.72 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.395 0.678 . . . . 25.0 111.498 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.09 -37.06 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.353 0.597 . . . . 25.0 110.266 177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.88 -39.17 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.65 -44.73 92.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.235 0.541 . . . . 25.0 111.591 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.45 -30.44 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.16 -0.616 . . . . 25.0 111.077 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mtp -67.94 -38.5 82.9 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.892 -0.505 . . . . 25.0 111.187 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.55 -39.65 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.4 -22.21 65.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.767 1.395 . . . . 25.0 114.767 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.83 -25.09 63.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 118.023 0.374 . . . . 25.0 111.351 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.99 -15.17 14.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.928 0.394 . . . . 25.0 111.409 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -85.37 78.94 9.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.778 0.799 . . . . 25.0 111.6 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.52 -42.34 94.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.079 -0.964 . . . . 25.0 111.036 -177.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -81.62 -13.79 57.52 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.06 14.36 79.43 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 117.647 1.819 . . . . 25.0 117.647 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.61 -0.04 40.59 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.85 1.325 . . . . 25.0 114.548 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.08 8.3 79.01 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 122.121 -0.362 . . . . 25.0 113.216 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -137.35 167.18 22.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.407 0.623 . . . . 25.0 110.369 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.81 117.23 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.63 171.19 15.47 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 -177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -58.91 -46.18 88.52 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.3 -36.99 74.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.661 -0.65 . . . . 25.0 112.318 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.86 -34.54 77.58 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.049 -0.523 . . . . 25.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.229 -0.295 . . . . 25.0 110.788 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.2 -40.84 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -40.03 95.51 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.971 -0.456 . . . . 25.0 110.356 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 ttt -66.87 -25.81 66.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.413 0.625 . . . . 25.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.9 ttm . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 25.0 111.424 179.56 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 . . . . . 0 C--O 1.219 -0.546 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.35 -46.73 75.78 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.79 -0.569 . . . . 25.0 110.15 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.26 -35.72 73.97 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.102 -0.639 . . . . 25.0 109.423 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.06 69.51 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.246 -0.433 . . . . 25.0 111.026 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.88 -45.95 55.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.773 -0.579 . . . . 25.0 110.078 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -69.01 -15.11 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.366 0.603 . . . . 25.0 111.964 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.91 -39.8 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.85 -45.71 8.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.348 -0.842 . . . . 25.0 112.798 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.93 93.18 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.652 0.739 . . . . 25.0 111.5 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -81.2 -22.73 38.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.276 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -75.92 -27.61 57.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.784 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.86 23.77 71.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.176 -0.769 . . . . 25.0 111.176 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -96.22 -2.46 46.12 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.81 6.51 72.45 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 114.921 0.728 . . . . 25.0 114.921 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.3 p -135.96 152.33 50.86 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.261 0.531 . . . . 25.0 111.897 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.35 122.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -104.51 168.27 9.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.45 67.41 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -37.99 87.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.908 -0.495 . . . . 25.0 111.348 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.78 -44.25 67.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.947 0.403 . . . . 25.0 110.725 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.43 -44.25 92.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.878 0.847 . . . . 25.0 108.815 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.57 -28.93 74.11 Favored Glycine 0 CA--C 1.509 -0.307 0 CA-C-N 115.237 -0.892 . . . . 25.0 114.665 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.2 m -66.14 -41.61 90.18 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.81 -40.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.048 -0.407 . . . . 25.0 110.288 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -57.59 -43.95 85.02 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.809 -0.356 . . . . 25.0 111.472 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.63 -17.97 57.22 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -72.73 -24.23 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mt -91.73 8.94 34.66 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.639 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 4.24 90.39 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 115.436 0.934 . . . . 25.0 115.436 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -85.87 158.02 20.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.898 -0.778 . . . . 25.0 108.898 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -129.54 60.52 51.91 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 113.61 0.966 . . . . 25.0 113.61 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.93 156.46 34.52 Favored 'Trans proline' 0 C--O 1.242 0.721 0 C-N-CA 117.773 -1.018 . . . . 25.0 113.305 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -82.09 162.77 22.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 48' ' ' LEU . 26.4 pt-20 -73.2 -18.95 61.2 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 120.668 -1.27 . . . . 25.0 113.04 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.39 -37.58 56.96 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -66.25 -40.32 90.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.123 0.964 . . . . 25.0 108.714 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 45' ' ' GLU . 32.4 mt -67.19 -27.88 67.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.799 -0.637 . . . . 25.0 110.744 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -73.6 -36.47 65.52 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 119.088 -0.482 . . . . 25.0 111.645 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.26 -27.63 64.59 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.343 0.974 . . . . 25.0 110.723 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.84 -27.54 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 25.0 110.745 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -83.68 -43.53 18.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.07 -31.82 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 122.458 0.303 . . . . 25.0 110.754 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.12 -17.0 56.43 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -23.36 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -79.84 55.92 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.902 0.881 . . . . 25.0 112.782 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.6 -19.87 65.87 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.305 0.574 . . . . 25.0 110.857 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.12 -20.35 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.635 -0.711 . . . . 25.0 111.438 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.82 10.62 84.87 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 118.394 2.117 . . . . 25.0 118.394 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -79.89 0.68 30.16 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.048 1.924 . . . . 25.0 114.59 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.71 3.03 84.03 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 116.053 1.181 . . . . 25.0 116.053 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 p -140.17 165.38 27.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.76 0.78 . . . . 25.0 111.488 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -96.34 112.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 105.593 -2.003 . . . . 25.0 105.593 170.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.85 169.12 13.63 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -56.66 -47.22 99.39 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -69.41 -21.27 35.36 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 114.096 -3.469 . . . . 25.0 113.643 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -77.59 -30.1 52.33 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.53 -40.91 89.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.17 -41.08 99.18 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.762 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -66.01 -38.24 87.94 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.901 0.382 . . . . 25.0 111.192 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.4 ttt . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 179.4 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 25.0 110.281 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.33 -46.31 80.75 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.209 -0.307 . . . . 25.0 110.688 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.56 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 25.0 110.648 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.5 -43.86 96.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -69.09 -15.18 63.38 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.487 1.291 . . . . 25.0 114.487 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.35 -39.65 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -92.09 -35.5 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -94.98 49.83 1.25 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.741 0.781 . . . . 25.0 110.862 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HD3' ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -67.39 -12.94 61.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 25.0 111.581 176.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.91 -14.05 48.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 25.0 110.498 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.24 25.61 75.19 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 118.021 1.968 . . . . 25.0 118.021 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.28 -1.69 57.95 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.101 1.45 . . . . 25.0 113.926 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.47 4.22 68.34 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.912 0.725 . . . . 25.0 114.912 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.51 146.22 41.71 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.708 0.254 . . . . 25.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.85 115.05 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -92.77 161.95 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.879 -0.728 . . . . 25.0 109.309 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.69 -39.46 80.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.389 0.614 . . . . 25.0 110.095 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -30.06 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.09 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -81.03 -42.09 21.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.761 -0.2 . . . . 25.0 110.754 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.738 -0.21 . . . . 25.0 110.612 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -27.27 68.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.729 -0.388 . . . . 25.0 111.385 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -69.36 -42.96 74.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.249 -0.58 . . . . 25.0 110.066 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.92 -43.03 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 26.3 mtt -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.487 0.551 . . . . 25.0 112.487 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -63.19 -38.29 90.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.736 0.303 . . . . 25.0 110.271 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.4 -28.87 64.31 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.96 -0.462 . . . . 25.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.11 -24.06 47.64 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.841 0.456 . . . . 25.0 111.466 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.01 36.78 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.442 -0.408 . . . . 25.0 112.099 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.36 159.64 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.038 0.447 . . . . 25.0 110.289 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.62 64.34 0.9 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 25.0 112.023 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.1 mt -120.83 163.19 18.54 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 105.072 -2.195 . . . . 25.0 105.072 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.5 p -98.99 171.3 8.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.01 -32.89 73.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.62 -38.54 73.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.69 -38.99 93.18 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.894 0.854 . . . . 25.0 109.186 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.62 -42.02 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.6 -0.727 . . . . 25.0 109.824 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.49 -41.01 96.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.823 -0.171 . . . . 25.0 111.361 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.32 -44.07 92.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.976 0.417 . . . . 25.0 110.826 176.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttp -64.1 -40.91 97.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.236 0.541 . . . . 25.0 112.241 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.4 mm -67.13 -40.27 84.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.418 -1.265 . . . . 25.0 107.638 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -61.8 -31.07 71.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -69.1 -25.33 64.36 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.992 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -97.58 -14.08 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 25.0 111.426 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -85.76 78.86 9.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.791 0.805 . . . . 25.0 111.869 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.17 -41.44 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.34 -0.846 . . . . 25.0 111.737 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -83.36 -11.14 57.97 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.495 1.294 . . . . 25.0 114.495 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.41 18.66 75.6 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 117.07 1.588 . . . . 25.0 117.07 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.97 0.0 54.35 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.77 7.72 74.37 Favored Glycine 0 C--O 1.244 0.733 0 O-C-N 122.181 -0.325 . . . . 25.0 113.372 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -137.58 163.78 30.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.135 0.493 . . . . 25.0 110.657 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.93 116.99 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 106.881 -1.525 . . . . 25.0 106.881 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.25 162.3 28.06 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.0 -36.73 77.84 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.293 -0.88 . . . . 25.0 110.855 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.87 -45.78 90.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.273 0.559 . . . . 25.0 111.699 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.48 -34.92 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.83 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.46 -39.08 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.048 0.451 . . . . 25.0 110.706 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -74.44 -39.46 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -59.33 -47.14 86.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.017 -0.427 . . . . 25.0 111.495 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 ptm -70.56 -20.84 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 25.0 111.444 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -178.31 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -71.02 -35.19 71.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.91 -38.1 72.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.65 70.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.855 0.36 . . . . 25.0 110.967 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.83 -44.57 69.68 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -67.84 -17.84 64.63 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.146 0.425 . . . . 25.0 112.146 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.84 -23.7 67.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.328 0.585 . . . . 25.0 109.548 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -104.1 -44.43 4.99 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.754 -0.657 . . . . 25.0 110.322 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.9 82.08 8.49 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.053 0.941 . . . . 25.0 109.392 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.78 -30.34 71.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -89.04 -10.1 48.77 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 120.29 -0.564 . . . . 25.0 112.189 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.59 15.83 79.18 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 176.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -77.62 -4.93 48.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 1.268 . . . . 25.0 113.861 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.96 -1.15 60.96 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 114.151 0.42 . . . . 25.0 114.151 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -136.17 132.86 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.175 0.512 . . . . 25.0 111.71 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.6 mt -85.53 113.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 104.359 -2.46 . . . . 25.0 104.359 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -90.43 167.63 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.8 t -62.13 -28.98 70.02 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.134 0.492 . . . . 25.0 109.947 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.33 -42.38 96.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.535 0.683 . . . . 25.0 110.325 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -75.66 -35.79 60.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 25.0 111.433 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.45 -43.92 96.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.7 -35.17 89.15 Favored Glycine 0 C--O 1.217 -0.948 0 CA-C-N 115.115 -0.948 . . . . 25.0 111.998 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -63.94 -42.77 97.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.745 -0.856 . . . . 25.0 110.182 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -69.74 -38.28 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 25.0 110.257 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 mmt -64.3 -35.47 80.97 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.807 -0.558 . . . . 25.0 111.763 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -75.28 -16.59 60.43 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 t -70.77 -24.78 62.66 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 171.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.97 -14.06 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.482 -0.781 . . . . 25.0 109.619 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.78 -6.13 56.95 Favored Glycine 0 C--O 1.217 -0.928 0 CA-C-N 115.625 -0.716 . . . . 25.0 114.375 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.437 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 27.2 mm100 -64.55 141.7 58.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -174.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -122.64 69.18 33.63 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -79.3 166.24 22.66 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 118.338 -0.641 . . . . 25.0 111.772 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 p -77.51 165.68 24.03 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.35 -24.46 62.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.788 -1.195 . . . . 25.0 111.579 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.66 65.76 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.82 -28.89 69.87 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.035 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 mt -79.68 -33.35 41.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.457 -0.777 . . . . 25.0 110.768 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.08 -39.29 79.15 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.906 1.23 . . . . 25.0 110.865 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.3 mtt -67.08 -27.45 67.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.395 0.616 . . . . 25.0 110.674 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.4 mt -81.27 -45.24 20.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.99 -30.93 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.57 -17.81 56.62 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.99 -23.3 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 112.008 0.373 . . . . 25.0 112.008 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -80.34 67.78 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.967 0.889 . . . . 25.0 112.486 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.5 -25.26 67.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 25.0 113.197 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -87.81 -7.87 56.69 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.87 16.61 76.45 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 117.424 1.73 . . . . 25.0 117.424 174.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -84.61 -0.16 52.3 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.41 75.67 Favored Glycine 0 C--O 1.242 0.653 0 N-CA-C 115.792 1.077 . . . . 25.0 115.792 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -139.03 153.16 48.07 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.771 0.785 . . . . 25.0 111.411 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.8 mt -91.62 103.16 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 106.864 -1.532 . . . . 25.0 106.864 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.26 178.65 5.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -51.57 -44.35 89.46 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 117.349 2.352 . . . . 25.0 117.349 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -71.24 -25.03 22.54 Favored 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 113.023 -4.184 . . . . 25.0 113.586 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -82.2 -26.77 33.04 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.222 0.534 . . . . 25.0 109.693 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.19 -37.29 86.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 171.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.45 -41.0 96.78 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -63.9 -40.26 96.08 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.23 0.538 . . . . 25.0 110.828 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 C--N 1.324 -0.527 0 C-N-CA 122.713 0.405 . . . . 25.0 110.538 179.197 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.0 mt . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 108.339 -0.985 . . . . 25.0 108.339 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -59.53 -41.68 90.57 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.526 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.56 -38.75 81.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.984 -0.448 . . . . 25.0 111.507 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.95 82.31 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.305 0.574 . . . . 25.0 110.072 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.64 -36.33 82.3 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.986 -0.446 . . . . 25.0 110.96 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -64.49 -19.45 65.59 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.14 -28.37 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.54 -45.84 3.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -81.32 78.03 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 25.0 111.273 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -103.36 -1.0 29.36 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.254 -0.885 . . . . 25.0 112.36 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.28 -7.01 36.57 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.46 26.42 74.55 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 116.706 1.442 . . . . 25.0 116.706 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.7 -1.42 55.2 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.731 1.266 . . . . 25.0 114.128 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 41' ' ' GLN . . . 91.68 -2.98 77.83 Favored Glycine 0 CA--C 1.509 -0.326 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -139.78 165.34 27.54 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 mt -108.35 115.03 48.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.484 -1.673 . . . . 25.0 106.484 172.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -105.46 165.93 10.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.954 -0.466 . . . . 25.0 110.629 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.58 89.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.698 0.285 . . . . 25.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.82 69.93 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.008 -0.542 . . . . 25.0 112.006 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -86.25 -41.39 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.038 0.447 . . . . 25.0 110.164 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.7 tp -65.31 -37.65 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.15 -0.344 . . . . 25.0 110.435 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -23.27 65.39 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 121.592 -0.692 . . . . 25.0 111.367 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -69.4 -42.79 74.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.53 -45.59 93.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mtp -65.68 -38.37 89.09 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.1 m -58.19 -41.52 84.12 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.038 0.447 . . . . 25.0 110.11 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.88 -26.62 60.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.747 -0.66 . . . . 25.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -33.14 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.51 -26.9 2.25 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 115.119 0.807 . . . . 25.0 115.119 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -94.49 146.37 24.14 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -126.3 75.46 1.53 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.726 0.774 . . . . 25.0 110.681 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.53 164.68 23.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.521 -1.218 . . . . 25.0 109.019 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.0 p -77.18 163.91 26.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -39.63 84.93 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -66.3 -36.37 82.77 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.82 -36.08 82.73 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.073 0.939 . . . . 25.0 109.424 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -83.27 -31.32 8.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.381 -0.827 . . . . 25.0 110.187 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -66.16 -37.63 86.11 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 109.26 -0.645 . . . . 25.0 109.26 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.38 -35.34 78.88 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.658 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -68.23 -36.58 79.73 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.928 -0.482 . . . . 25.0 111.541 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.8 mm -65.61 -40.37 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 177.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.3 -28.67 69.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -175.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -67.46 -17.05 64.55 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 111.627 0.232 . . . . 25.0 111.627 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.98 -2.06 12.94 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.904 0.383 . . . . 25.0 110.765 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.34 80.62 7.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.669 0.747 . . . . 25.0 111.106 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.86 -43.15 93.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.252 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -86.41 -9.84 55.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.389 1.255 . . . . 25.0 114.389 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.99 20.28 63.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -1.37 57.03 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.742 1.271 . . . . 25.0 114.348 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 8.29 71.65 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 121.447 -0.406 . . . . 25.0 113.766 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -141.53 169.42 17.63 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.312 -0.522 . . . . 25.0 110.186 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.4 t -100.68 120.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -81.75 173.41 12.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.1 -42.75 93.75 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.805 -0.559 . . . . 25.0 110.45 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.85 -44.14 94.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.027 0.918 . . . . 25.0 111.487 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.08 -32.61 73.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.688 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.1 -38.09 89.6 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.998 -0.546 . . . . 25.0 109.766 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.41 -42.05 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.559 -0.713 . . . . 25.0 109.356 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.257 -0.277 . . . . 25.0 110.377 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 65.6 ttp -71.52 -40.2 70.26 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 120.842 0.354 . . . . 25.0 110.986 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -177.677 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 C--O 1.222 -0.366 0 N-CA-C 111.515 0.191 . . . . 25.0 111.515 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -69.38 -41.26 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -71.32 -36.12 71.47 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.011 -0.675 . . . . 25.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.84 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 25.0 110.046 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -65.38 -42.84 92.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.595 -0.52 . . . . 25.0 109.595 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -65.89 -20.72 66.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.538 . . . . 25.0 112.017 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.13 -40.56 94.6 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.8 -38.12 23.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.539 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.3 95.9 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.653 0.74 . . . . 25.0 110.754 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.98 -21.73 43.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -105.12 -13.25 15.78 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.759 0.651 . . . . 25.0 112.759 -175.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.84 15.92 76.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 115.896 1.118 . . . . 25.0 115.896 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 p30 -80.22 -2.18 43.8 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.74 10.36 70.02 Favored Glycine 0 C--O 1.239 0.433 0 C-N-CA 121.289 -0.482 . . . . 25.0 113.787 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -134.73 152.88 52.1 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.833 0.453 . . . . 25.0 111.934 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.78 118.48 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -87.75 164.74 15.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -35.84 72.31 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.514 0.673 . . . . 25.0 109.585 174.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.04 -44.43 97.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 25.0 111.441 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -70.01 -41.66 74.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.75 0.309 . . . . 25.0 111.358 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.16 -45.21 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.779 0.8 . . . . 25.0 109.144 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -32.7 85.09 Favored Glycine 0 C--O 1.219 -0.789 0 CA-C-N 114.947 -1.024 . . . . 25.0 112.999 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.7 m -61.84 -43.5 98.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.693 0.746 . . . . 25.0 109.43 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.41 -43.96 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.498 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -62.97 -40.6 98.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.921 -0.487 . . . . 25.0 111.877 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -69.99 -26.24 63.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.67 -0.644 . . . . 25.0 111.236 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 t -71.73 -27.36 62.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.03 3.58 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.414 0.686 . . . . 25.0 110.418 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.98 89.08 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 114.825 0.69 . . . . 25.0 114.825 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -78.72 151.57 32.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -115.09 46.28 0.42 Allowed Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 118.886 2.921 . . . . 25.0 118.886 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.16 164.62 19.54 Favored 'Trans proline' 0 C--O 1.246 0.901 0 C-N-CA 116.7 -1.733 . . . . 25.0 113.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 t -100.22 162.14 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 173.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.77 -29.73 70.72 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.07 -31.71 70.66 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.19 -34.61 78.43 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 122.587 1.184 . . . . 25.0 108.62 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.3 mt -76.69 -28.35 55.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.28 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.4 -37.77 86.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 119.208 -0.425 . . . . 25.0 111.379 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.78 -29.01 65.1 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.282 0.946 . . . . 25.0 111.098 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.3 mtt -68.26 -29.9 68.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.123 0.487 . . . . 25.0 110.326 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.1 mt -77.06 -48.07 25.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.2 mt -54.89 -33.42 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.02 -20.07 55.95 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.037 1.125 . . . . 25.0 114.037 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.33 -7.02 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.41 59.09 4.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.761 0.791 . . . . 25.0 111.962 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -17.32 63.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -87.52 -10.79 50.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.88 14.54 75.81 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.218 0.847 . . . . 25.0 115.218 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -174.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.9 10.64 85.43 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 116.503 1.361 . . . . 25.0 116.503 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.8 p -139.94 153.22 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.778 0.789 . . . . 25.0 110.672 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.14 104.06 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 106.822 -1.547 . . . . 25.0 106.822 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.59 165.19 25.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.03 -45.02 99.8 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 114.164 1.172 . . . . 25.0 114.164 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.02 -24.23 67.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 114.307 -3.329 . . . . 25.0 114.707 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.64 -31.01 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.659 -0.651 . . . . 25.0 109.458 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -66.38 -39.28 88.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.01 -33.99 76.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.496 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 m -69.78 -34.76 74.18 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.067 -0.396 . . . . 25.0 110.67 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.8 ttm . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 175.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--O 1.197 -1.659 0 CA-C-O 123.681 1.705 . . . . 25.0 109.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -62.18 -40.54 96.36 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 120.656 -1.278 . . . . 25.0 111.637 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.12 -32.31 64.85 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.806 -1.184 . . . . 25.0 110.55 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.27 83.61 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.858 0.837 . . . . 25.0 108.78 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -69.41 -38.53 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.358 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.08 -16.67 62.26 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.45 -37.43 69.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.38 -46.5 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -82.57 81.42 8.37 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.691 0.758 . . . . 25.0 109.14 177.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.3 -35.11 77.34 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.77 -24.66 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.998 -0.281 . . . . 25.0 111.578 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.43 21.32 64.76 Favored Glycine 0 C--O 1.228 -0.277 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -75.87 0.88 16.64 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.39 1.095 . . . . 25.0 113.698 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.32 6.99 58.5 Favored Glycine 0 C--O 1.235 0.17 0 C-N-CA 121.512 -0.375 . . . . 25.0 112.831 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -141.56 136.36 31.02 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.871 0.367 . . . . 25.0 111.728 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.5 106.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 105.752 -1.944 . . . . 25.0 105.752 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.7 p -75.78 162.51 28.12 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.382 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.92 74.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.88 92.79 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.352 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -68.33 -41.77 80.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.262 -0.274 . . . . 25.0 110.528 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.53 -43.9 92.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.96 79.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.649 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.05 -45.98 89.67 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.206 -0.308 . . . . 25.0 111.02 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.26 -46.0 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 121.174 0.511 . . . . 25.0 109.744 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.5 mtt -63.81 -39.12 93.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.1 m -61.13 -40.49 94.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.476 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -72.03 -24.49 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.82 0.343 . . . . 25.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -77.65 -14.43 59.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 25.0 110.489 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.25 20.8 56.47 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 121.262 -0.495 . . . . 25.0 111.934 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.23 158.66 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.352 0.596 . . . . 25.0 110.257 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -124.84 37.96 4.29 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.717 0.77 . . . . 25.0 111.198 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.07 155.26 17.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.942 -1.481 . . . . 25.0 107.877 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -87.11 165.44 15.76 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.28 -37.02 76.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 25.0 110.637 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -70.53 -33.48 71.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.49 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.78 -34.87 78.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 25.0 110.545 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.52 -40.3 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 108.804 -0.813 . . . . 25.0 108.804 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.91 -37.93 89.27 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.713 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.45 -37.52 78.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.985 0.421 . . . . 25.0 110.781 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.58 81.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.98 -0.45 . . . . 25.0 111.005 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.32 -42.15 87.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -57.1 -32.27 66.13 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.12 -13.07 59.49 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.34 -0.91 5.68 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.85 76.81 9.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.787 0.803 . . . . 25.0 111.564 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.9 -42.28 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.853 -175.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -88.64 -2.57 58.66 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.51 21.79 78.68 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 116.62 1.408 . . . . 25.0 116.62 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -87.53 2.73 49.91 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.029 1.492 . . . . 25.0 115.029 -176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.49 10.63 81.56 Favored Glycine 0 C--O 1.243 0.697 0 CA-C-O 121.537 0.521 . . . . 25.0 113.307 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.15 166.91 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.72 -0.474 . . . . 25.0 109.72 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.92 116.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 172.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -74.71 168.07 20.56 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.557 -1.645 . . . . 25.0 106.557 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.14 -45.14 87.9 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.867 -0.521 . . . . 25.0 112.043 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -41.17 87.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 25.0 111.819 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.32 -34.92 77.55 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.503 -0.771 . . . . 25.0 110.298 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -65.54 -38.76 90.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.217 -0.302 . . . . 25.0 111.585 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.46 -38.67 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -66.25 -42.63 88.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.9 -0.5 . . . . 25.0 110.184 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 ttt -61.08 -31.33 71.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.682 0.393 . . . . 25.0 111.558 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.4 ttm . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 179.044 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -90.3 -177.58 5.15 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -76.83 153.55 34.75 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.29 141.88 55.49 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.361 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.4 p -70.21 160.09 32.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -61.42 -29.75 70.13 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.728 -0.841 . . . . 25.0 108.728 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.25 -44.25 76.05 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.388 -0.823 . . . . 25.0 111.445 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.44 -39.19 93.36 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 122.427 1.108 . . . . 25.0 110.7 177.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.51 -37.93 80.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.83 83.38 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 122.014 -0.429 . . . . 25.0 111.197 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -58.58 -49.1 78.67 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.881 0.848 . . . . 25.0 110.81 176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.43 -21.07 64.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.265 -0.897 . . . . 25.0 111.728 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -75.14 -38.73 60.91 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.29 -38.56 68.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.48 -30.09 70.39 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 122.278 -0.264 . . . . 25.0 110.354 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -67.11 -45.71 76.36 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 122.001 -0.437 . . . . 25.0 109.969 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.7 m -67.77 -25.71 65.75 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.894 0.378 . . . . 25.0 111.829 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.61 -32.06 73.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.208 -0.933 . . . . 25.0 109.749 174.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -38.95 18.37 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 25.0 110.98 177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -87.05 93.87 9.48 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.533 0.683 . . . . 25.0 111.082 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -71.71 -17.66 62.21 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -86.88 -28.17 22.98 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.441 0.638 . . . . 25.0 109.356 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.21 17.99 79.7 Favored Glycine 0 C--O 1.227 -0.342 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.73 -173.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.04 -6.88 58.57 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.58 7.27 54.03 Favored Glycine 0 C--O 1.239 0.413 0 C-N-CA 121.213 -0.518 . . . . 25.0 114.053 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.07 155.75 50.21 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.6 mt -118.43 128.01 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.1 p -106.83 170.17 8.1 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.9 t -62.38 -27.22 68.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.511 -0.743 . . . . 25.0 110.959 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -65.35 -39.79 92.79 Favored 'General case' 0 C--O 1.22 -0.484 0 O-C-N 121.295 -0.878 . . . . 25.0 109.805 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -74.52 -33.52 62.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -47.17 87.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.24 -30.78 77.39 Favored Glycine 0 CA--C 1.511 -0.209 0 CA-C-N 115.737 -0.665 . . . . 25.0 113.711 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.2 m -64.68 -46.4 82.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.1 -41.14 81.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.5 mmt -57.92 -50.03 74.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -72.82 -17.55 61.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.817 -0.552 . . . . 25.0 112.09 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -23.81 58.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 173.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -91.08 -0.17 57.67 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.63 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.14 1.81 88.33 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 121.249 -0.501 . . . . 25.0 113.598 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -82.46 133.48 35.21 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.836 -0.802 . . . . 25.0 110.995 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -120.98 57.31 6.04 Favored Pre-proline 0 CA--C 1.561 1.397 0 N-CA-C 114.667 1.358 . . . . 25.0 114.667 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -74.59 172.79 15.49 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 117.437 -1.242 . . . . 25.0 111.497 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -75.59 162.71 28.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 25.0 109.862 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -64.01 -31.52 72.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.062 0.458 . . . . 25.0 110.097 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.5 77.27 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.052 -0.405 . . . . 25.0 110.641 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -65.16 -41.74 94.42 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.18 -32.55 74.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.067 -0.396 . . . . 25.0 111.09 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -70.31 -42.77 71.55 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.445 -0.502 . . . . 25.0 111.229 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -31.32 71.65 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 122.189 -0.319 . . . . 25.0 110.727 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.2 mtp -64.54 -25.34 67.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.815 -0.553 . . . . 25.0 111.085 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mm -80.06 -47.7 21.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.37 -30.31 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.189 0.596 . . . . 25.0 111.531 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -29.49 41.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.924 0.489 . . . . 25.0 112.196 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.93 -29.53 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.2 53.14 1.69 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.888 0.852 . . . . 25.0 112.227 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.48 66.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.091 -0.959 . . . . 25.0 110.833 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.68 -17.06 56.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 122.766 0.427 . . . . 25.0 111.734 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.06 12.9 84.22 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 117.649 1.82 . . . . 25.0 117.649 173.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -3.36 48.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 119.617 1.709 . . . . 25.0 113.555 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.74 -2.91 77.45 Favored Glycine 0 C--O 1.24 0.501 0 N-CA-C 115.935 1.134 . . . . 25.0 115.935 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.6 p -136.87 163.52 30.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 119.076 1.438 . . . . 25.0 112.835 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -104.97 108.74 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 104.836 -2.283 . . . . 25.0 104.836 173.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -87.28 177.98 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -55.54 -43.67 99.26 Favored Pre-proline 0 CA--C 1.559 1.296 0 N-CA-C 115.448 1.647 . . . . 25.0 115.448 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -64.87 -28.81 58.64 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 114.497 -3.202 . . . . 25.0 113.675 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.47 -24.3 56.92 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.75 -37.04 76.29 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.14 -37.3 86.98 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -67.0 -36.48 82.26 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.609 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.1 ttm -64.81 -34.34 78.12 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.901 -0.499 . . . . 25.0 109.89 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.7 mmt -75.61 -36.47 60.25 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.099 -0.376 . . . . 25.0 110.417 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.22 71.62 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.035 -0.416 . . . . 25.0 111.953 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -80.88 0.19 36.27 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.236 -0.915 . . . . 25.0 112.622 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -104.38 -9.39 18.51 Favored 'General case' 0 C--O 1.205 -1.274 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 172.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 97.6 mmm -87.33 11.45 14.36 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.84 141.77 28.3 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.28 140.18 33.86 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.303 1.002 . . . . 25.0 110.04 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 t -137.54 165.27 26.71 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -65.96 -40.25 91.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 p -72.14 -11.49 60.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -70.23 -21.7 62.98 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.904 -0.318 . . . . 25.0 111.316 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.13 -42.69 98.99 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.751 -0.593 . . . . 25.0 110.253 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.31 -37.04 84.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.26 0.552 . . . . 25.0 110.485 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.77 -41.94 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -66.32 -39.77 89.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.605 -0.27 . . . . 25.0 110.663 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.32 -47.98 77.33 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.711 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.77 83.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.056 0.455 . . . . 25.0 110.358 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -61.84 -45.04 95.51 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.406 -0.59 . . . . 25.0 109.406 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -71.65 -17.23 62.26 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.96 -41.01 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.192 -1.04 . . . . 25.0 108.192 173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -83.32 -40.53 19.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.962 -0.461 . . . . 25.0 112.123 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -80.07 79.95 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.42 1.105 . . . . 25.0 109.562 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -70.96 -29.45 65.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.389 1.255 . . . . 25.0 114.389 -172.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -93.31 -8.2 42.71 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.413 0.551 . . . . 25.0 112.02 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.48 20.02 77.36 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 116.925 1.53 . . . . 25.0 116.925 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -84.41 4.45 31.46 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.863 1.801 . . . . 25.0 115.863 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.77 4.62 67.3 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.824 -0.703 . . . . 25.0 114.708 176.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -136.76 143.54 43.29 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -101.52 111.1 30.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 p -82.37 159.74 22.96 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.02 -34.61 72.08 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.72 85.21 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.077 0.465 . . . . 25.0 111.729 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.95 -40.86 68.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.977 -0.379 . . . . 25.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -42.79 97.07 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -62.75 -31.15 72.04 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 116.376 -0.375 . . . . 25.0 111.28 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -63.14 -45.03 93.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.58 -0.848 . . . . 25.0 108.957 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.57 -44.3 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -39.55 94.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.049 0.388 . . . . 25.0 112.049 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.67 -39.04 93.35 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.233 0.54 . . . . 25.0 109.603 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -71.56 -24.07 61.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.431 -0.349 . . . . 25.0 111.495 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.95 -21.03 44.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.903 0.382 . . . . 25.0 110.965 176.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.95 7.1 53.44 Favored Glycine 0 C--O 1.238 0.388 0 CA-C-N 115.571 -0.741 . . . . 25.0 112.584 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.35 138.16 57.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -121.35 63.98 0.89 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 122.165 0.983 . . . . 25.0 109.662 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.09 161.11 14.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.767 -1.56 . . . . 25.0 109.247 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.2 p -86.79 168.99 12.99 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.28 -30.25 71.09 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 120.534 -0.466 . . . . 25.0 109.787 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.49 -32.73 70.36 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 122.699 0.4 . . . . 25.0 111.102 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.19 -33.07 65.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.86 -36.86 59.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.978 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -62.41 -44.25 96.87 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' HD2' ' A' ' 126' ' ' ARG . 18.5 tp10 -58.63 -39.47 80.61 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.401 -0.812 . . . . 25.0 112.239 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 42.3 ttm -65.67 -41.55 92.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.616 0.722 . . . . 25.0 111.655 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.3 mm -69.82 -34.36 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.012 -0.54 . . . . 25.0 109.803 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.473 ' HD2' ' HA ' ' A' ' 123' ' ' GLU . 50.9 mtt180 -58.15 -29.71 65.78 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.691 0.997 . . . . 25.0 113.691 -176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.87 -23.86 66.06 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.383 0.611 . . . . 25.0 111.575 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.65 -20.58 13.42 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 115.944 -0.571 . . . . 25.0 112.168 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.01 76.65 8.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -172.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.8 -41.99 88.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.517 -0.765 . . . . 25.0 111.59 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.33 -8.99 58.19 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.0 19.6 67.0 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 116.575 1.39 . . . . 25.0 116.575 174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.72 2.52 54.72 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.437 1.643 . . . . 25.0 115.437 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.9 9.05 86.77 Favored Glycine 0 C--O 1.241 0.547 0 C-N-CA 121.245 -0.503 . . . . 25.0 114.197 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -133.94 167.75 20.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.18 116.02 49.05 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -76.08 168.32 20.26 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -60.76 -43.98 97.32 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 118.493 0.588 . . . . 25.0 111.391 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -64.1 -39.37 93.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.827 0.822 . . . . 25.0 110.874 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.17 -28.91 67.69 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.882 -0.599 . . . . 25.0 111.164 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -68.49 -32.66 72.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.107 -0.331 . . . . 25.0 110.107 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.77 -41.35 90.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -66.31 -40.7 90.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.933 -0.48 . . . . 25.0 110.678 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.9 ttt -60.08 -42.16 94.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.13 -0.356 . . . . 25.0 111.173 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.1 ttm -76.75 -17.91 58.79 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.18 -13.35 57.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.321 0.582 . . . . 25.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.27 -166.64 1.21 Allowed 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 109.319 -0.623 . . . . 25.0 109.319 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.7 pttt . . . . . 0 C--O 1.247 0.967 0 N-CA-C 106.465 -1.68 . . . . 25.0 106.465 177.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -163.47 157.85 20.25 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 103.146 -2.909 . . . . 25.0 103.146 -167.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -157.32 157.49 34.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.12 139.17 39.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.662 -1.236 . . . . 25.0 107.662 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 m -112.23 -35.78 5.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.843 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -66.36 -30.94 71.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.989 -0.444 . . . . 25.0 111.863 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -64.32 -38.49 91.24 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 120.584 0.23 . . . . 25.0 110.63 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -64.63 -41.0 96.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.054 0.454 . . . . 25.0 110.796 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.99 -38.74 81.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.44 -41.32 84.96 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.766 -0.584 . . . . 25.0 110.733 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -61.76 -44.59 96.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.189 0.518 . . . . 25.0 111.125 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -66.95 -30.09 70.13 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 121.627 -0.671 . . . . 25.0 110.682 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -69.22 -40.45 77.96 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.255 -0.278 . . . . 25.0 110.396 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -68.61 -39.36 80.88 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.331 -0.548 . . . . 25.0 109.936 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.65 -34.72 78.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.681 0.277 . . . . 25.0 110.714 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -69.5 -43.94 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.4 t -65.92 -20.56 66.26 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.062 0.458 . . . . 25.0 111.62 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.48 -38.59 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -89.08 -40.99 12.57 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.53 89.39 3.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.953 0.882 . . . . 25.0 110.722 -178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -76.15 -20.32 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 -174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -108.5 -5.45 16.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.63 19.99 77.17 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 116.183 1.233 . . . . 25.0 116.183 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -81.91 0.22 40.77 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.639 0.978 . . . . 25.0 113.639 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 3.66 71.92 Favored Glycine 0 CA--C 1.519 0.318 0 N-CA-C 114.844 0.698 . . . . 25.0 114.844 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -133.4 156.76 47.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 117.329 0.565 . . . . 25.0 111.796 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -112.88 116.22 52.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.5 p -91.9 166.54 12.67 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 p -60.82 -32.86 72.22 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -58.99 -44.12 91.55 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.853 0.835 . . . . 25.0 110.503 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.0 -35.81 56.85 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.854 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.62 -45.79 92.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.27 76.67 Favored Glycine 0 C--O 1.221 -0.678 0 CA-C-N 115.647 -0.706 . . . . 25.0 113.418 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.0 m -63.51 -40.55 97.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.601 0.7 . . . . 25.0 109.743 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.46 -43.33 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.82 -0.437 . . . . 25.0 109.82 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.65 -40.52 97.07 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 112.506 0.558 . . . . 25.0 112.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -74.08 -18.73 60.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.335 -0.853 . . . . 25.0 112.015 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -74.86 -20.49 59.72 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.27 9.35 34.27 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.74 4.04 90.32 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 115.011 0.764 . . . . 25.0 115.011 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -82.66 148.9 27.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.503 0.652 . . . . 25.0 110.892 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -123.04 66.61 30.87 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 116.226 -0.443 . . . . 25.0 110.841 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.1 163.11 39.75 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 117.897 -0.935 . . . . 25.0 112.031 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.2 p -80.72 165.27 22.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -63.47 -31.17 72.26 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.42 -41.57 80.18 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.539 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.55 -38.22 90.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.236 1.017 . . . . 25.0 109.924 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.33 -27.74 65.63 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.555 -0.716 . . . . 25.0 110.572 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -74.41 -48.22 29.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 119.59 -0.243 . . . . 25.0 111.196 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.16 -27.79 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.159 0.8 . . . . 25.0 113.159 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.7 mtt -67.91 -24.83 65.25 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.845 -0.535 . . . . 25.0 111.496 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -44.95 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.34 -30.59 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 117.714 0.233 . . . . 25.0 111.183 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.0 -30.31 46.77 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.496 0.925 . . . . 25.0 113.496 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -4.25 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 -176.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.97 62.09 4.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.875 0.845 . . . . 25.0 111.8 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.2 68.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -92.11 -3.72 55.31 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.56 18.48 71.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.093 1.197 . . . . 25.0 116.093 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -84.05 -0.76 53.01 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.953 1.377 . . . . 25.0 114.652 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.15 0.84 80.02 Favored Glycine 0 C--O 1.239 0.413 0 N-CA-C 116.595 1.398 . . . . 25.0 116.595 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.2 p -135.31 159.58 41.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.949 0.874 . . . . 25.0 111.378 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -90.52 115.3 29.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -93.46 168.99 10.69 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 -177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.89 -48.21 92.31 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 115.467 1.654 . . . . 25.0 115.467 -177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.83 -23.53 22.24 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 113.726 -3.716 . . . . 25.0 114.296 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.88 -34.14 66.5 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -64.65 -39.75 94.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.339 0.59 . . . . 25.0 109.722 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.72 -37.59 86.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.072 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -66.4 -33.57 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.161 -0.337 . . . . 25.0 111.162 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.1 ttm -63.1 -40.66 98.3 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -38.31 68.9 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.68 97.54 Favored 'General case' 0 C--O 1.214 -0.816 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -69.91 -16.19 63.18 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.305 -0.872 . . . . 25.0 111.717 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -85.05 -32.81 22.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.5 mtt -90.86 46.52 1.33 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -57.97 154.42 12.51 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -66.55 161.4 23.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.5 -1.227 . . . . 25.0 110.982 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.9 p -125.39 26.18 6.9 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -75.27 -174.0 2.22 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.004 -1.453 . . . . 25.0 111.692 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.5 p 61.17 22.69 12.97 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 115.997 1.851 . . . . 25.0 115.997 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -56.82 -35.95 69.38 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.391 -0.818 . . . . 25.0 112.204 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -69.24 -36.18 76.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.627 -0.671 . . . . 25.0 110.507 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.05 -36.69 82.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.62 -39.02 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -65.2 -39.43 92.81 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 122.054 -0.404 . . . . 25.0 111.382 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -70.03 -38.42 75.88 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.894 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.25 79.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.846 0.355 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.72 -38.85 79.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.59 0.234 . . . . 25.0 110.402 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -69.66 -15.05 63.11 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.666 1.358 . . . . 25.0 114.666 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.0 t -66.78 -35.92 75.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 107.067 -1.457 . . . . 25.0 107.067 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.03 -54.01 4.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.356 -0.838 . . . . 25.0 109.487 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -81.4 76.94 8.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.868 0.842 . . . . 25.0 110.34 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -71.39 -14.28 62.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.403 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -75.6 -25.42 56.97 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 21.3 76.91 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.431 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -91.57 2.02 56.74 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.21 1.189 . . . . 25.0 114.21 -174.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.44 5.69 65.0 Favored Glycine 0 C--O 1.235 0.176 0 N-CA-C 114.322 0.489 . . . . 25.0 114.322 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -140.28 133.88 30.21 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.95 0.375 . . . . 25.0 111.672 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -97.98 118.11 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 173.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -89.87 168.37 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.13 -0.322 . . . . 25.0 110.13 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.4 79.29 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.164 -0.335 . . . . 25.0 110.4 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.04 82.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.625 0.726 . . . . 25.0 111.229 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -75.42 -37.24 60.55 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.86 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.44 -43.72 84.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 175.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -58.85 -32.22 69.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.995 -0.548 . . . . 25.0 111.3 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -61.32 -45.72 93.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.988 -0.445 . . . . 25.0 110.12 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.47 -40.59 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 25.0 110.225 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.21 -35.66 77.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.238 0.542 . . . . 25.0 112.134 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.1 m -63.04 -38.8 92.65 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -72.48 -26.13 61.68 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 122.19 -0.319 . . . . 25.0 111.457 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.31 -20.17 57.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.815 0.34 . . . . 25.0 110.442 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.47 16.85 51.75 Favored Glycine 0 C--O 1.238 0.394 0 CA-C-N 116.042 -0.526 . . . . 25.0 113.356 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -69.91 159.66 33.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.733 0.778 . . . . 25.0 112.114 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -129.6 56.91 1.69 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.273 -0.876 . . . . 25.0 111.398 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.61 162.59 12.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.317 -0.856 . . . . 25.0 108.844 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 p -88.21 166.52 14.3 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.95 -30.74 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.52 0.676 . . . . 25.0 109.663 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -66.59 -38.85 87.87 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.162 -0.927 . . . . 25.0 111.769 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.68 -37.05 81.8 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.372 0.606 . . . . 25.0 109.718 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.91 -34.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.51 -39.34 88.6 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.958 -0.464 . . . . 25.0 110.037 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -64.85 -33.85 76.98 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.941 -0.704 . . . . 25.0 110.911 174.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.1 mtp -67.32 -34.5 77.49 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.728 -0.607 . . . . 25.0 111.729 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.26 -38.82 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -61.07 -27.26 68.23 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.03 -30.15 65.9 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.699 0.259 . . . . 25.0 111.699 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -112.34 -6.03 14.08 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -83.93 79.3 9.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.052 0.929 . . . . 25.0 111.503 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -41.25 87.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.138 -0.937 . . . . 25.0 112.193 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -11.0 52.4 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.517 1.302 . . . . 25.0 114.517 -176.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.92 21.11 59.89 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 117.666 1.826 . . . . 25.0 117.666 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.9 -0.29 55.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.862 1.331 . . . . 25.0 114.483 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.89 6.75 75.5 Favored Glycine 0 C--O 1.24 0.52 0 C-N-CA 121.454 -0.403 . . . . 25.0 113.938 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -139.86 171.44 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.15 117.27 50.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.83 167.79 20.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.28 -43.88 92.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.882 -0.511 . . . . 25.0 111.906 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -64.11 -41.14 97.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.347 0.594 . . . . 25.0 111.147 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.33 -35.59 81.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.588 -0.733 . . . . 25.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -64.62 -40.07 94.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.13 -0.357 . . . . 25.0 110.759 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.97 -38.69 78.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.05 -41.64 99.53 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.719 -0.613 . . . . 25.0 110.305 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.2 ttp -61.52 -36.38 80.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 25.0 110.498 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.5 ttm -67.06 -25.57 66.32 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.2 t -109.73 21.45 16.91 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.359 0.6 . . . . 25.0 110.654 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.69 162.59 12.93 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.68 0.753 . . . . 25.0 111.355 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.0 pttp . . . . . 0 C--O 1.244 0.781 0 CA-C-O 117.286 -1.34 . . . . 25.0 111.19 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 117.774 -1.108 . . . . 25.0 108.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 50.74 49.26 21.32 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.859 1.349 . . . . 25.0 111.399 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.18 135.09 55.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.475 -0.784 . . . . 25.0 110.835 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mp -105.58 156.83 17.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.172 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -62.36 -26.76 68.63 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.59 -0.732 . . . . 25.0 110.351 175.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.14 -27.88 69.68 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -65.38 -39.62 92.47 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -67.27 -40.65 86.21 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.251 -0.431 . . . . 25.0 110.322 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.33 -36.64 74.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.54 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.973 -0.454 . . . . 25.0 110.146 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.19 -40.52 97.76 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.764 0.792 . . . . 25.0 110.203 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -70.6 -22.56 62.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.729 -0.607 . . . . 25.0 111.13 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.03 -34.68 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.97 -37.99 75.93 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.815 -0.754 . . . . 25.0 109.53 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.04 79.65 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 122.179 -0.325 . . . . 25.0 110.667 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -66.19 -43.14 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.199 -0.313 . . . . 25.0 110.234 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -65.5 -25.28 67.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.05 0.452 . . . . 25.0 111.348 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.66 -27.39 66.82 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.084 -0.385 . . . . 25.0 110.719 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -92.5 -32.19 14.96 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.546 0.339 . . . . 25.0 111.468 174.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -79.39 78.33 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.014 0.911 . . . . 25.0 109.33 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.78 -23.92 67.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 -173.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -103.79 -8.45 19.79 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.742 1.016 . . . . 25.0 113.742 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.98 14.12 82.96 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 118.024 1.969 . . . . 25.0 118.024 174.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -82.41 1.06 39.16 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.294 1.59 . . . . 25.0 115.294 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.72 69.03 Favored Glycine 0 C--O 1.238 0.384 0 N-CA-C 115.279 0.872 . . . . 25.0 115.279 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.4 p -135.84 155.84 49.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 117.518 0.659 . . . . 25.0 110.003 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt -111.28 116.1 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -100.93 168.89 9.33 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.254 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -34.04 67.51 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.621 -0.675 . . . . 25.0 112.251 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 25.0 110.305 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.92 -40.04 63.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.995 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.84 -43.99 97.73 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.169 -0.678 . . . . 25.0 109.169 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.05 82.91 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 115.344 -0.844 . . . . 25.0 112.779 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.5 m -64.83 -45.0 88.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.22 -42.67 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 122.247 -0.283 . . . . 25.0 110.505 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -60.06 -43.0 95.74 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.721 -0.391 . . . . 25.0 111.377 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.19 -21.26 59.9 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.404 -0.81 . . . . 25.0 112.249 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -71.36 -28.12 63.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.79 7.64 26.09 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.891 -0.595 . . . . 25.0 110.378 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.47 87.89 Favored Glycine 0 C--O 1.225 -0.454 0 N-CA-C 114.668 0.627 . . . . 25.0 114.668 177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -80.74 160.15 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.987 -0.714 . . . . 25.0 110.381 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.96 68.16 62.97 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -72.33 157.6 53.12 Favored 'Trans proline' 0 CA--C 1.512 -0.586 0 C-N-CA 117.294 -1.337 . . . . 25.0 113.217 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.6 p -81.77 163.98 22.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -68.61 -28.41 66.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.213 -0.929 . . . . 25.0 109.582 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.09 80.38 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.157 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -62.02 -44.06 97.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.117 0.96 . . . . 25.0 109.512 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.13 -30.04 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.574 . . . . 25.0 110.769 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -73.83 -44.91 54.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 118.988 -0.53 . . . . 25.0 111.344 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -69.12 -29.76 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 119.466 1.03 . . . . 25.0 111.648 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 98.0 mtp -64.72 -26.44 68.37 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 120.431 -0.508 . . . . 25.0 110.942 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.0 mt -85.1 -47.92 16.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.274 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -58.24 -28.43 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 122.899 0.48 . . . . 25.0 111.806 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.98 -27.99 34.94 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.807 1.04 . . . . 25.0 113.807 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.37 -11.58 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 114.38 1.252 . . . . 25.0 114.38 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.54 51.86 1.75 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.316 0.858 . . . . 25.0 113.316 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.16 64.18 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.097 0.475 . . . . 25.0 111.155 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -79.9 -19.28 48.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.738 0.815 . . . . 25.0 111.713 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.41 17.32 78.03 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.09 -4.25 58.79 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.917 1.359 . . . . 25.0 113.663 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.31 7.16 87.04 Favored Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.46 1.344 . . . . 25.0 116.46 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.4 p -137.14 154.2 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.738 0.769 . . . . 25.0 111.066 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.6 mt -87.19 114.55 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.347 -1.723 . . . . 25.0 106.347 173.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -87.89 173.14 9.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.843 -1.169 . . . . 25.0 107.843 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.27 -49.69 92.48 Favored Pre-proline 0 CA--C 1.559 1.312 0 N-CA-C 115.036 1.495 . . . . 25.0 115.036 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.4 -21.74 30.12 Favored 'Trans proline' 0 C--N 1.357 0.994 1 C-N-CA 112.34 -4.64 . . . . 25.0 113.397 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.02 -32.43 63.36 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 121.841 -0.537 . . . . 25.0 109.982 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -66.08 -40.83 91.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.18 -37.48 85.72 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.637 -0.71 . . . . 25.0 110.24 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -65.22 -41.13 94.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttp -59.69 -40.75 88.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.303 0.573 . . . . 25.0 110.077 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.3 mtp -68.38 -41.69 80.21 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.445 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -32.62 74.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.785 0.291 . . . . 25.0 111.785 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -63.99 -18.79 64.64 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 111.799 0.296 . . . . 25.0 111.799 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -95.59 -15.8 22.54 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 112.214 0.45 . . . . 25.0 112.214 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.8 mtt -90.52 -27.19 19.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.19 0.519 . . . . 25.0 110.998 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -77.91 153.81 32.24 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 51.44 47.0 25.64 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 124.211 0.944 . . . . 25.0 112.035 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 m -54.69 123.02 11.94 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.457 0.646 . . . . 25.0 111.19 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -80.68 144.34 32.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -174.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.4 p -77.02 -7.31 55.42 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 171.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -63.47 -25.21 68.16 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.044 -0.525 . . . . 25.0 111.14 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.62 -37.01 85.37 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.603 -0.686 . . . . 25.0 110.126 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -67.64 -37.87 83.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 25.0 109.577 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.8 mt -66.9 -37.2 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -63.76 -41.27 98.02 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 122.211 -0.306 . . . . 25.0 110.731 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -68.99 -41.34 77.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.232 -0.587 . . . . 25.0 110.141 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.41 80.09 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.969 0.414 . . . . 25.0 111.834 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.22 -42.01 94.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -67.69 -21.4 65.33 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.752 1.019 . . . . 25.0 113.752 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.77 -41.58 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -80.47 -31.78 37.26 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.213 -0.304 . . . . 25.0 111.366 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -83.49 56.95 3.79 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.553 1.168 . . . . 25.0 109.223 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -64.06 -23.94 67.52 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.06 -0.973 . . . . 25.0 112.981 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -85.73 -7.42 58.79 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.22 0.464 . . . . 25.0 112.066 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.46 13.34 82.99 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 118.234 2.054 . . . . 25.0 118.234 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -87.62 1.67 53.03 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.549 1.675 . . . . 25.0 115.377 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.0 5.08 68.38 Favored Glycine 0 C--O 1.227 -0.311 0 N-CA-C 115.955 1.142 . . . . 25.0 115.955 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.11 152.2 45.93 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.9 mt -105.63 110.6 31.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.0 p -85.38 163.34 18.6 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.577 -0.449 . . . . 25.0 109.798 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.89 77.51 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.229 0.538 . . . . 25.0 109.606 173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.92 -32.16 73.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.807 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -79.5 -41.32 27.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.667 -0.242 . . . . 25.0 110.736 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.2 -47.86 82.58 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.967 -0.693 . . . . 25.0 109.327 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -27.9 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.571 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -66.61 -47.18 73.47 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.486 -0.759 . . . . 25.0 109.77 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -41.3 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.019 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mmt -62.8 -38.47 90.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.372 -0.205 . . . . 25.0 111.502 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.6 m -63.9 -37.29 86.86 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.114 -0.366 . . . . 25.0 110.117 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -70.39 -22.04 62.8 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.002 -0.436 . . . . 25.0 110.717 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.5 mt -87.2 -7.22 58.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.605 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.49 65.21 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 115.264 0.866 . . . . 25.0 115.264 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.27 160.17 31.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.101 0.477 . . . . 25.0 111.675 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -127.24 49.15 2.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.178 0.513 . . . . 25.0 111.906 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 69.4 mt -78.19 163.48 25.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.384 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 79.6 p -95.55 168.73 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -29.67 69.25 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.085 -0.646 . . . . 25.0 110.436 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.51 -33.13 62.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 119.77 -0.157 . . . . 25.0 111.408 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.23 -38.99 91.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.5 t -70.99 -42.7 77.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.537 -0.756 . . . . 25.0 109.639 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.8 -47.99 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.12 -34.07 77.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.587 -0.696 . . . . 25.0 112.64 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -70.31 -34.43 72.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.829 -0.544 . . . . 25.0 111.98 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.4 mm -67.13 -37.46 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.28 -1.007 . . . . 25.0 108.28 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.92 -27.92 67.16 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.528 0.204 . . . . 25.0 111.299 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -109.05 -18.65 13.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -79.37 78.74 5.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.934 0.873 . . . . 25.0 113.11 -173.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.08 -42.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.117 -0.947 . . . . 25.0 111.719 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -85.38 -3.6 58.89 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.02 20.77 79.68 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 117.189 1.636 . . . . 25.0 117.189 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.23 -0.1 56.19 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.133 1.531 . . . . 25.0 115.133 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.27 8.06 75.53 Favored Glycine 0 C--O 1.245 0.823 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.112 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -138.44 168.43 19.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 25.0 109.775 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.0 t -103.79 120.65 54.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -81.94 169.62 16.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.534 -2.024 . . . . 25.0 105.534 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.18 -46.89 88.18 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -61.79 -40.13 94.13 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.582 0.706 . . . . 25.0 111.255 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.23 -35.29 80.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.224 -0.898 . . . . 25.0 111.478 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -67.18 -40.63 86.58 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.709 0.29 . . . . 25.0 110.376 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.6 -42.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -63.35 -42.22 98.89 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.536 -0.102 . . . . 25.0 110.926 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.3 ttt -60.4 -37.12 79.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.958 0.408 . . . . 25.0 111.126 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 32.2 ttm -71.89 -10.76 60.24 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.0 t -127.67 26.87 5.85 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.318 0.58 . . . . 25.0 109.558 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.75 164.97 9.06 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.633 0.73 . . . . 25.0 111.142 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 80.3 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.092 -0.956 . . . . 25.0 111.286 -176.665 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 118.2 -0.905 . . . . 25.0 109.216 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -57.29 96.37 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.538 0.685 . . . . 25.0 112.765 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -150.3 161.85 41.65 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.1 tp -62.73 -27.53 69.34 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.224 0.535 . . . . 25.0 111.495 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -25.21 64.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -67.03 -19.47 65.7 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -63.42 -45.12 92.42 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.92 -35.35 74.5 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.844 -0.535 . . . . 25.0 110.532 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.4 -36.3 74.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.38 74.81 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 122.104 -0.372 . . . . 25.0 111.261 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.87 -47.47 84.79 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.931 0.872 . . . . 25.0 108.71 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -72.07 -19.8 61.76 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.844 -0.617 . . . . 25.0 111.362 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -73.07 -42.25 63.25 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.047 -0.408 . . . . 25.0 110.353 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -70.87 -37.82 73.08 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.64 74.34 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.107 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -61.59 -43.77 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.8 t -64.56 -33.54 76.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.281 0.562 . . . . 25.0 111.036 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -37.09 84.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 25.0 110.301 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -83.61 -35.76 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.835 0.68 . . . . 25.0 112.835 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.37 92.81 5.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.761 0.791 . . . . 25.0 110.796 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.09 -21.82 61.44 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -171.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -116.64 0.16 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.0 24.56 75.71 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 115.463 0.945 . . . . 25.0 115.463 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -83.0 -5.36 59.07 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.97 6.98 74.84 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 114.572 0.589 . . . . 25.0 114.572 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.1 p -137.43 154.06 50.02 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 117.265 0.532 . . . . 25.0 110.893 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.4 mt -116.9 122.55 70.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -90.79 167.43 12.48 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -61.62 -27.83 68.94 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.228 0.537 . . . . 25.0 110.773 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -71.98 -41.2 67.95 Favored 'General case' 0 C--O 1.224 -0.259 0 O-C-N 121.71 -0.619 . . . . 25.0 110.231 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -67.23 -42.08 84.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.13 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.64 -49.57 77.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.364 0.602 . . . . 25.0 110.199 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -33.08 86.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 115.871 -0.604 . . . . 25.0 113.415 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.8 m -64.59 -45.33 87.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.231 -0.57 . . . . 25.0 109.779 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.6 t -70.04 -39.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.651 -0.419 . . . . 25.0 110.893 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.28 -43.54 88.06 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.02 -0.425 . . . . 25.0 110.015 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -73.68 -22.62 59.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.032 0.752 . . . . 25.0 113.032 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.1 m -72.39 -29.13 63.48 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.27 -1.41 44.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.716 0.807 . . . . 25.0 110.625 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.27 3.98 81.49 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-N 116.445 -0.343 . . . . 25.0 113.749 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -78.65 147.99 33.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.611 0.705 . . . . 25.0 109.396 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -117.17 57.18 1.91 Allowed Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.007 0.743 . . . . 25.0 113.007 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -74.04 160.43 42.88 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 115.907 -2.262 . . . . 25.0 113.065 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -77.84 163.22 26.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -72.73 -18.94 61.47 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.398 -0.814 . . . . 25.0 110.17 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.56 68.26 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 122.516 -0.115 . . . . 25.0 110.834 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.24 -43.33 99.05 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.079 0.942 . . . . 25.0 108.666 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.64 -23.48 66.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -79.54 -49.78 11.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 119.315 -0.374 . . . . 25.0 111.022 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -69.56 -28.61 66.13 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.881 0.764 . . . . 25.0 112.274 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 86.1 mtp -61.24 -33.03 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 25.0 110.638 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.1 mt -85.37 -46.23 17.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-N 116.224 -0.444 . . . . 25.0 110.993 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.73 -33.38 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 117.777 0.262 . . . . 25.0 111.509 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.99 -21.31 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.317 1.228 . . . . 25.0 114.317 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.93 -16.79 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.293 0.849 . . . . 25.0 113.293 -177.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -84.28 51.53 2.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.399 0.68 . . . . 25.0 111.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -20.21 66.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.276 0.56 . . . . 25.0 111.15 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.394 0.678 . . . . 25.0 110.962 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.35 14.41 81.97 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 117.64 1.816 . . . . 25.0 117.64 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -78.79 -1.62 35.65 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.517 1.658 . . . . 25.0 114.088 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.46 4.08 90.28 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 115.265 0.866 . . . . 25.0 115.265 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.8 p -136.06 161.49 35.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.266 0.533 . . . . 25.0 110.395 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.7 mt -90.38 116.78 32.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.725 -1.583 . . . . 25.0 106.725 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.93 173.37 8.26 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.45 -51.27 79.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 115.833 1.79 . . . . 25.0 115.833 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.02 -21.29 24.35 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 113.366 -3.956 . . . . 25.0 113.536 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.37 -34.44 65.57 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -68.2 -36.94 80.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.809 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.69 -46.15 89.94 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 m -65.91 -42.96 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 25.0 111.176 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.8 ttp -59.88 -42.08 92.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.304 0.573 . . . . 25.0 110.397 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.8 mmm -75.2 -34.36 61.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.65 -36.91 79.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.906 0.384 . . . . 25.0 110.138 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -65.59 -20.09 66.18 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -94.71 -11.67 28.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.752 0.279 . . . . 25.0 111.752 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 98.5 mtp -128.4 42.38 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.418 0.628 . . . . 25.0 110.409 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -69.7 165.05 22.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 173.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -79.7 -166.5 1.0 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.189 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.27 -49.2 4.54 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 118.596 2.813 . . . . 25.0 118.596 -167.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -13.93 92.45 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 -169.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.3 p -68.82 140.91 55.25 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 122.226 1.012 . . . . 25.0 113.352 -165.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.62 -34.78 74.75 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 114.986 -1.006 . . . . 25.0 111.287 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -62.99 -42.67 99.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 -174.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.85 -44.74 88.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.71 0.767 . . . . 25.0 110.121 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.401 HG21 HG22 ' A' ' 142' ' ' VAL . 71.0 mt -65.95 -39.45 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.587 -0.733 . . . . 25.0 109.618 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -65.28 -39.06 92.08 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 121.836 -0.54 . . . . 25.0 112.261 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.18 -43.35 91.97 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.735 -0.786 . . . . 25.0 109.856 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.02 89.56 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.361 0.601 . . . . 25.0 111.235 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.47 -42.46 98.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.346 0.593 . . . . 25.0 110.683 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -69.1 -13.77 62.62 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 114.484 1.29 . . . . 25.0 114.484 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.67 -38.57 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 174.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -89.89 -44.37 9.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.232 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -83.15 64.08 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 122.12 0.962 . . . . 25.0 108.658 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 tmmt? -60.03 -31.23 69.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.713 -1.13 . . . . 25.0 112.312 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.0 -18.82 49.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.403 -0.362 . . . . 25.0 111.47 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.14 24.96 65.01 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 117.733 1.853 . . . . 25.0 117.733 172.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.52 -0.08 56.32 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.649 1.352 . . . . 25.0 114.649 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.45 2.69 61.67 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.567 0.587 . . . . 25.0 114.567 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -139.5 138.88 36.75 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.517 0.327 . . . . 25.0 110.277 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.96 111.31 27.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.8 p -82.26 163.07 22.09 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.867 -0.733 . . . . 25.0 109.429 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.52 79.09 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.26 83.33 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.99 0.424 . . . . 25.0 111.467 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -69.79 -43.77 71.43 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.62 -41.7 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.49 0.662 . . . . 25.0 109.424 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -38.07 83.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 25.0 111.018 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.84 -45.41 86.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.306 -0.247 . . . . 25.0 110.565 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.64 -45.17 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mmt -62.58 -40.58 97.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.353 -0.217 . . . . 25.0 111.569 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.6 m -62.74 -38.87 92.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.729 0.3 . . . . 25.0 110.539 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.95 -28.06 62.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.307 -0.246 . . . . 25.0 111.174 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 mt -72.82 -25.25 61.06 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 122.83 -16.84 8.26 Favored Glycine 0 C--N 1.328 0.114 0 CA-C-N 116.055 -0.521 . . . . 25.0 112.487 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -71.23 134.32 46.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 25.0 110.312 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -114.69 54.57 0.77 Allowed 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.607 0.718 . . . . 25.0 110.496 -174.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.43 163.32 27.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.224 -1.353 . . . . 25.0 107.357 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -92.35 168.02 11.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.51 -34.56 78.06 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -64.36 -40.52 96.0 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.542 -1.208 . . . . 25.0 112.24 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.17 -37.36 85.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.542 0.686 . . . . 25.0 109.902 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -71.56 -34.42 52.71 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 CA-C-N 116.112 -0.495 . . . . 25.0 110.162 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.32 -44.89 96.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.177 0.513 . . . . 25.0 109.802 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.72 -37.52 82.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.11 -0.496 . . . . 25.0 111.12 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 95.8 mtp -69.45 -38.08 77.62 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -65.17 -38.27 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -60.39 -25.04 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.05 -20.69 66.26 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -123.38 3.43 9.11 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -86.77 76.85 9.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.503 0.668 . . . . 25.0 111.208 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.4 -44.26 97.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.712 -0.677 . . . . 25.0 112.035 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -87.34 -2.59 58.73 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.047 1.129 . . . . 25.0 114.047 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.11 17.39 80.25 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 116.987 1.555 . . . . 25.0 116.987 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.22 1.53 50.43 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.08 10.1 84.32 Favored Glycine 0 C--O 1.24 0.476 0 C-N-CA 121.325 -0.464 . . . . 25.0 114.23 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -137.78 171.14 14.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -103.19 116.71 47.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.776 -1.565 . . . . 25.0 106.776 172.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.94 166.64 23.05 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 -177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -59.43 -43.58 93.08 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 120.416 -0.514 . . . . 25.0 110.775 174.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.23 -37.86 88.88 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.463 0.649 . . . . 25.0 112.363 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.24 -34.79 76.86 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -69.07 -38.01 78.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.032 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.401 HG22 HG21 ' A' ' 85' ' ' ILE . 78.8 t -62.78 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -63.39 -37.43 87.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 25.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.5 ttm -64.4 -39.02 93.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.217 0.532 . . . . 25.0 111.181 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ttt -76.11 -33.4 59.47 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.1 t -88.67 -5.64 58.0 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.229 0.826 . . . . 25.0 113.229 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.62 168.41 14.35 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.115 0.784 . . . . 25.0 113.115 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 C--O 1.245 0.854 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 177.698 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 118.532 -0.747 . . . . 25.0 109.827 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -153.46 -178.19 6.84 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -73.33 161.47 30.44 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.615 0.721 . . . . 25.0 112.039 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.65 129.42 39.8 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.151 -0.477 . . . . 25.0 110.241 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -86.87 -32.04 20.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.423 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.89 -32.28 73.43 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.098 0.777 . . . . 25.0 113.098 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -64.86 -38.24 90.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.96 0.41 . . . . 25.0 109.929 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.54 -41.41 79.9 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.4 -37.59 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.05 -46.73 83.11 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.402 0.546 . . . . 25.0 111.03 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.2 -44.7 88.21 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 121.72 0.771 . . . . 25.0 111.222 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.56 -28.65 67.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.742 -0.599 . . . . 25.0 112.036 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.54 -38.72 74.24 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.25 -43.26 87.02 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.6 78.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 122.782 0.433 . . . . 25.0 111.533 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -68.73 -45.5 71.36 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 120.965 0.412 . . . . 25.0 110.047 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.1 t -67.18 -20.38 65.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.397 0.618 . . . . 25.0 111.337 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -27.71 65.81 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 116.18 -0.464 . . . . 25.0 110.384 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.02 -41.41 8.77 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 122.614 0.365 . . . . 25.0 111.234 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.95 101.67 7.87 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.654 0.781 . . . . 25.0 109.109 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -70.57 -24.64 62.82 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 121.772 -0.58 . . . . 25.0 111.681 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -84.48 -27.65 27.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.296 0.569 . . . . 25.0 110.476 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 15.58 78.51 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.389 -0.823 . . . . 25.0 113.632 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -79.31 -25.85 42.33 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.739 1.015 . . . . 25.0 113.739 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.13 -2.35 8.38 Favored Glycine 0 C--O 1.241 0.57 0 C-N-CA 121.451 -0.405 . . . . 25.0 114.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.1 p -134.59 146.57 49.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 117.458 0.629 . . . . 25.0 111.367 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.13 124.61 69.94 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 t -104.06 169.91 8.22 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 108.6 -0.889 . . . . 25.0 108.6 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.0 p -56.0 -39.16 71.48 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.445 0.64 . . . . 25.0 111.71 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -60.7 -42.68 97.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.55 0.69 . . . . 25.0 110.606 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.78 -42.26 70.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.505 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.12 -41.81 93.44 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.9 -33.32 85.37 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 121.465 -0.398 . . . . 25.0 113.543 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.6 m -67.49 -44.9 77.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.34 -43.38 94.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.908 -0.405 . . . . 25.0 109.908 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.4 -45.85 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.117 0.414 . . . . 25.0 112.117 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -70.47 -23.89 62.77 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -69.88 -30.19 67.59 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.21 -2.67 58.79 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.623 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.48 1.89 65.95 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 115.25 0.86 . . . . 25.0 115.25 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -82.59 155.44 24.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.904 -0.763 . . . . 25.0 111.774 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -127.1 54.86 13.27 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 115.494 1.665 . . . . 25.0 115.494 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.01 151.26 61.79 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 115.488 -2.541 . . . . 25.0 113.249 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.5 p -74.05 161.97 29.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.98 -18.78 62.6 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.455 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.51 -41.61 69.0 Favored 'General case' 0 C--O 1.205 -1.263 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.4 -38.82 88.35 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.9 -35.38 80.48 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 121.77 -0.581 . . . . 25.0 110.301 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -68.89 -44.3 73.48 Favored 'General case' 0 C--O 1.198 -1.609 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.79 -45.49 94.2 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-O 121.895 0.855 . . . . 25.0 111.581 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.6 mtt -60.79 -24.47 65.82 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -86.26 -45.56 16.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.24 -30.27 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 112.251 0.463 . . . . 25.0 112.251 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -52.36 -32.75 39.95 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -9.9 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -83.85 52.08 2.2 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 123.287 0.635 . . . . 25.0 110.812 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.28 61.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.025 0.44 . . . . 25.0 111.688 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -82.71 -9.48 59.34 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.908 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.92 79.19 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 116.469 1.348 . . . . 25.0 116.469 175.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.86 -6.05 58.29 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.192 1.496 . . . . 25.0 113.965 -176.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.62 -2.08 84.34 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 117.153 1.621 . . . . 25.0 117.153 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.7 p -138.25 149.06 45.38 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 117.664 0.732 . . . . 25.0 112.261 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.96 111.86 21.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.545 1.164 . . . . 25.0 108.222 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -88.35 171.28 10.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.234 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -52.38 -49.81 83.27 Favored Pre-proline 0 CA--C 1.554 1.103 0 N-CA-C 114.682 1.364 . . . . 25.0 114.682 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -64.13 -30.53 65.37 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 115.221 -2.72 . . . . 25.0 115.195 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.21 -29.09 60.2 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 121.711 -0.618 . . . . 25.0 109.689 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -70.9 -35.92 72.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.09 -38.52 90.99 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 174.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.4 m -66.08 -37.52 85.99 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.664 0.745 . . . . 25.0 110.697 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.8 ttp -64.58 -37.81 88.86 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 121.678 -0.639 . . . . 25.0 110.27 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.0 mtm -75.54 -34.63 60.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.53 93.52 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 122.802 0.441 . . . . 25.0 111.43 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -71.99 -10.77 60.25 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.597 -0.689 . . . . 25.0 112.662 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -94.03 -36.4 12.15 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 122.095 -0.378 . . . . 25.0 110.934 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.8 mmt -102.62 14.58 31.59 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.739 0.65 . . . . 25.0 110.793 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt 45.05 46.03 9.2 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.427 1.491 . . . . 25.0 114.414 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -86.6 56.31 3.95 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 170.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.6 t -132.75 -161.14 1.11 Allowed 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 107.776 -1.194 . . . . 25.0 107.776 -168.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.69 160.49 7.28 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 122.031 0.92 . . . . 25.0 112.934 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.7 p -60.56 152.83 25.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.579 -1.191 . . . . 25.0 113.712 -172.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -61.7 -24.06 66.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.121 -0.945 . . . . 25.0 111.67 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 86' ' ' ARG . 2.4 mm-40 -60.06 -36.37 77.2 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.1 -47.26 77.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.441 1.115 . . . . 25.0 109.554 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.77 -35.39 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 83' ' ' GLU . 6.3 mtp180 -65.77 -22.37 66.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 118.454 -0.784 . . . . 25.0 111.613 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' HH11 ' A' ' 90' ' ' ARG . 47.7 mt-10 -67.92 -44.11 77.64 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.801 1.182 . . . . 25.0 108.42 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.73 -34.38 76.73 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.893 0.854 . . . . 25.0 110.474 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 73.1 t80 -63.5 -39.05 93.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.073 -0.512 . . . . 25.0 109.7 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 87' ' ' GLU . 37.1 mtm-85 -71.12 -11.46 60.96 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 114.125 1.158 . . . . 25.0 114.125 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.78 -36.78 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 106.922 -1.51 . . . . 25.0 106.922 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -93.43 -47.2 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.129 -0.487 . . . . 25.0 110.015 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -83.86 56.39 3.66 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-O 121.436 0.636 . . . . 25.0 110.536 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -65.33 -25.78 67.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.652 0.739 . . . . 25.0 110.628 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -75.89 -14.03 60.27 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.196 -0.911 . . . . 25.0 111.795 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.86 28.68 72.87 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 116.571 1.389 . . . . 25.0 116.571 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.58 -1.29 57.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 119.226 1.513 . . . . 25.0 114.108 -178.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.54 3.74 64.47 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 114.594 0.598 . . . . 25.0 114.594 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.19 151.21 47.49 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 122.455 -0.438 . . . . 25.0 110.128 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -105.69 124.15 60.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 171.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.7 p -95.96 166.08 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.951 0.405 . . . . 25.0 110.01 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.51 82.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.037 0.446 . . . . 25.0 110.582 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -68.85 -41.62 78.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 25.0 111.207 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.77 -51.02 70.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.54 -0.755 . . . . 25.0 109.157 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -60.3 -37.73 81.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.712 -0.676 . . . . 25.0 112.02 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.14 -45.0 93.96 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.948 -0.47 . . . . 25.0 111.56 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.88 -42.25 94.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-O 120.917 0.389 . . . . 25.0 110.275 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.9 mtp -66.25 -32.26 73.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 113.992 1.108 . . . . 25.0 113.992 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.6 m -62.0 -38.89 90.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.189 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -70.97 -23.62 62.25 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.48 -16.89 60.26 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 123.065 0.546 . . . . 25.0 110.653 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.87 -9.79 60.22 Favored Glycine 0 C--O 1.246 0.889 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.692 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.42 134.39 45.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.522 0.677 . . . . 25.0 110.295 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -109.18 67.2 0.65 Allowed 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.51 0.672 . . . . 25.0 110.195 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.69 155.52 40.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.13 -0.941 . . . . 25.0 109.886 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 77.0 p -88.64 176.34 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 173.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -32.09 71.27 Favored 'General case' 0 C--O 1.202 -1.409 0 C-N-CA 119.482 -0.887 . . . . 25.0 108.66 174.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.37 -41.48 98.81 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 115.799 -0.637 . . . . 25.0 111.478 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -62.96 -33.73 76.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.18 0.514 . . . . 25.0 110.762 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -78.88 -38.87 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.91 -44.18 94.44 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.54 -49.78 76.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.139 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.5 mtm -59.31 -34.74 72.69 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -77.43 -45.27 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 CA-C-O 119.416 -0.326 . . . . 25.0 111.554 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -65.93 -34.08 77.31 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -72.51 -15.82 61.78 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.575 0.702 . . . . 25.0 110.459 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.3 -18.69 15.33 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 116.095 -0.502 . . . . 25.0 112.054 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -81.91 73.37 8.95 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.682 0.993 . . . . 25.0 113.682 -173.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.33 -45.26 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -86.98 -3.95 59.13 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 114.526 1.306 . . . . 25.0 114.526 -174.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.41 15.51 81.44 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.54 -1.2 49.9 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.594 1.197 . . . . 25.0 112.938 -177.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.85 3.29 85.84 Favored Glycine 0 C--O 1.24 0.531 0 C-N-CA 120.696 -0.764 . . . . 25.0 114.639 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -132.84 169.68 16.4 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.8 t -104.78 114.64 44.91 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.34 171.25 15.44 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.81 -1.552 . . . . 25.0 106.81 -175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.431 ' HA ' ' CE2' ' A' ' 89' ' ' PHE . 71.0 t80 -60.28 -45.12 94.44 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.063 -1.023 . . . . 25.0 112.452 177.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.39 -36.83 85.43 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.413 0.625 . . . . 25.0 111.798 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.87 -35.36 76.81 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.84 -0.618 . . . . 25.0 109.803 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -64.19 -40.43 96.07 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.75 -43.55 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -62.41 -45.72 91.83 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.046 -0.409 . . . . 25.0 111.595 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.78 -36.79 79.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.06 0.457 . . . . 25.0 109.905 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.9 ttp -81.45 -14.68 56.78 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.7 t -111.5 -7.51 14.32 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.34 149.86 31.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 174.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 C--O 1.248 1.003 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 178.585 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.951 -0.389 . . . . 25.0 109.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -84.02 -26.21 29.31 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.366 0.266 . . . . 25.0 111.262 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -132.2 158.66 41.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.025 -0.731 . . . . 25.0 109.025 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.61 150.35 28.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.9 p -79.3 157.92 27.61 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.06 -27.14 67.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.524 0.678 . . . . 25.0 109.319 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -63.79 -44.56 92.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.782 -0.645 . . . . 25.0 110.351 175.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -65.11 -37.94 89.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.581 0.705 . . . . 25.0 110.759 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.22 -38.16 79.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.61 -40.77 76.41 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.881 -0.512 . . . . 25.0 111.265 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -60.5 -49.04 79.14 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.273 1.035 . . . . 25.0 109.964 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -72.48 -15.66 61.8 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.845 -0.616 . . . . 25.0 112.026 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -66.31 -40.08 89.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -68.74 -40.46 79.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.127 0.489 . . . . 25.0 109.825 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.92 85.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.019 0.438 . . . . 25.0 111.446 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.37 -44.45 78.94 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.635 -0.505 . . . . 25.0 109.635 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 t -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 25.0 110.684 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.57 -26.61 68.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.152 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.95 -36.51 11.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.351 . . . . 25.0 110.831 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -79.76 82.69 5.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.763 0.792 . . . . 25.0 110.55 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.03 -26.27 63.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.261 0.837 . . . . 25.0 113.261 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -96.1 -13.99 23.21 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.25 81.23 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 116.902 1.521 . . . . 25.0 116.902 173.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.49 -5.96 55.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.03 58.22 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 114.814 0.685 . . . . 25.0 114.814 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 p -133.9 160.26 38.2 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.526 0.663 . . . . 25.0 111.087 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 mt -115.13 124.98 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.727 -1.583 . . . . 25.0 106.727 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -108.03 167.58 9.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -36.4 70.1 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 122.096 -0.377 . . . . 25.0 111.555 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.03 -44.78 83.24 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.367 0.604 . . . . 25.0 110.937 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.31 -44.29 62.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 25.0 111.301 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.11 -44.23 97.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.676 0.751 . . . . 25.0 110.02 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -34.2 85.8 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.667 -0.697 . . . . 25.0 113.323 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -63.79 -41.63 97.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.24 -45.9 85.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.9 mtt -61.12 -44.44 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.54 -19.43 60.34 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.801 -0.76 . . . . 25.0 112.159 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -71.58 -23.17 61.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mt -90.82 1.86 56.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.688 . . . . 25.0 111.105 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.28 -1.26 57.35 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 116.071 1.188 . . . . 25.0 116.071 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -74.63 160.44 30.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.126 0.963 . . . . 25.0 110.153 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -124.47 56.07 11.45 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 111.938 0.348 . . . . 25.0 111.938 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.9 162.79 26.37 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 116.367 -1.955 . . . . 25.0 114.899 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -95.62 162.86 13.45 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.674 -0.862 . . . . 25.0 108.674 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.7 -32.75 74.48 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.49 -0.756 . . . . 25.0 112.662 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.74 78.32 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.777 0.322 . . . . 25.0 110.792 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -63.59 -38.32 90.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.171 0.986 . . . . 25.0 109.489 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.8 mt -73.54 -31.34 63.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.597 -0.729 . . . . 25.0 110.25 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -70.61 -37.36 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.49 -28.76 66.34 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 119.305 -0.958 . . . . 25.0 110.437 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -68.99 -27.84 66.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 122.018 -0.426 . . . . 25.0 110.891 175.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.5 mt -79.71 -47.19 22.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.25 -31.88 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 122.518 0.327 . . . . 25.0 110.819 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.92 -20.17 61.68 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.376 1.25 . . . . 25.0 114.376 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -9.18 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 111.964 0.357 . . . . 25.0 111.964 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -84.58 55.07 3.25 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.718 0.807 . . . . 25.0 111.523 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -15.98 63.24 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.212 0.53 . . . . 25.0 112.202 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -83.56 -19.39 35.68 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.74 0.816 . . . . 25.0 112.063 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.39 17.44 73.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 116.469 1.348 . . . . 25.0 116.469 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.01 -6.22 55.82 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.1 1.519 . . . . 25.0 115.1 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.04 4.56 86.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 117.552 1.781 . . . . 25.0 117.552 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -137.52 158.99 43.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.218 1.009 . . . . 25.0 110.547 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.7 mt -88.59 116.33 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.71 172.12 11.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.05 -48.84 96.37 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 114.535 1.309 . . . . 25.0 114.535 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.99 -28.11 49.97 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.285 -3.344 . . . . 25.0 113.656 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.05 -32.63 65.18 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -67.11 -39.89 86.75 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.33 -39.26 93.54 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 109.265 -0.643 . . . . 25.0 109.265 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -65.37 -39.25 92.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.876 0.369 . . . . 25.0 110.505 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.1 ttt -63.94 -40.67 96.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.405 0.621 . . . . 25.0 110.409 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.5 mmt -73.76 -28.2 61.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.954 -0.466 . . . . 25.0 111.056 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.38 67.25 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.77 0.319 . . . . 25.0 110.38 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -64.53 -24.59 67.65 Favored 'General case' 0 C--O 1.208 -1.125 0 O-C-N 121.841 -0.537 . . . . 25.0 111.381 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -84.98 -27.67 26.31 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 117.962 0.346 . . . . 25.0 111.213 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.3 mtt -65.97 -26.54 67.61 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 111.821 0.304 . . . . 25.0 111.821 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -89.27 -2.98 58.68 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -103.74 12.67 34.38 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 -175.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 t -149.27 156.68 42.49 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 106.244 -1.761 . . . . 25.0 106.244 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.89 129.63 40.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 176.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.1 p -83.63 163.94 20.02 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.14 -33.73 73.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.513 -0.742 . . . . 25.0 110.516 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -72.47 -31.63 65.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.781 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -70.83 -39.33 73.07 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.114 -0.494 . . . . 25.0 110.528 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.17 -37.91 81.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -63.2 -41.45 99.17 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.608 -0.683 . . . . 25.0 110.519 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.53 -41.38 88.83 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.324 -0.235 . . . . 25.0 111.487 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.32 85.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.94 0.4 . . . . 25.0 110.717 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -63.21 -40.25 96.95 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.4 -14.96 63.37 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.25 -40.7 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -94.76 -40.21 9.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.377 0.51 . . . . 25.0 112.377 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -81.49 73.64 8.52 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.851 0.834 . . . . 25.0 109.589 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -74.99 -29.66 60.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -85.21 -10.39 56.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.66 0.267 . . . . 25.0 110.591 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.35 75.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -81.61 0.69 37.25 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.185 0.993 . . . . 25.0 113.357 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.48 2.57 72.98 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 115.003 0.761 . . . . 25.0 115.003 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -140.79 157.82 44.85 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 117.032 0.416 . . . . 25.0 110.294 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.1 mt -119.56 107.3 20.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 175.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.1 p -83.77 166.13 18.27 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.886 -0.509 . . . . 25.0 110.682 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.98 90.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.064 0.459 . . . . 25.0 111.379 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.37 77.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.34 0.59 . . . . 25.0 110.758 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -72.11 -40.66 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.913 -0.585 . . . . 25.0 110.774 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.1 tp -65.62 -41.97 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 25.0 109.505 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -37.91 74.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.689 . . . . 25.0 110.673 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -60.32 -43.9 95.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 25.0 110.671 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.3 t -65.05 -48.09 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.16 0.505 . . . . 25.0 110.413 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 30.6 mtt -65.12 -39.52 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.4 m -63.61 -38.47 91.24 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -72.15 -23.91 61.37 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 120.848 -0.341 . . . . 25.0 111.278 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.75 -11.09 59.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.001 0.429 . . . . 25.0 109.957 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.46 8.6 65.84 Favored Glycine 0 C--O 1.241 0.566 0 CA-C-N 116.133 -0.485 . . . . 25.0 112.819 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.31 123.91 24.0 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -92.88 53.68 2.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.382 0.61 . . . . 25.0 110.807 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.0 mt -81.81 162.82 22.72 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.7 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.7 p -94.51 169.56 10.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -70.47 -29.07 65.52 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.85 -35.68 78.99 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 116.039 -0.528 . . . . 25.0 111.529 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.65 -38.17 90.11 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.579 0.704 . . . . 25.0 109.714 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.18 -39.76 65.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -60.69 -44.44 96.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.271 0.558 . . . . 25.0 110.258 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.91 -43.56 98.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.994 -0.548 . . . . 25.0 110.787 177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.7 mtm -65.79 -34.79 78.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.1 mm -71.84 -39.11 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 mtm105 -62.87 -26.19 68.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.574 1.324 . . . . 25.0 114.574 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -69.03 -17.16 63.86 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 121.022 0.439 . . . . 25.0 111.214 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.94 -12.94 11.96 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.07 75.47 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.576 0.703 . . . . 25.0 112.097 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.59 -43.63 98.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.486 -0.779 . . . . 25.0 112.347 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -86.61 -4.18 59.14 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.39 1.255 . . . . 25.0 114.39 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.52 20.25 79.62 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 116.82 1.488 . . . . 25.0 116.82 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -0.74 56.09 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.47 8.42 80.8 Favored Glycine 0 C--O 1.242 0.6 0 C-N-CA 121.172 -0.537 . . . . 25.0 113.639 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.45 168.53 19.46 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.204 -0.586 . . . . 25.0 109.924 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.0 t -100.62 120.69 50.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -80.52 171.13 15.44 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.59 -48.68 80.69 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.08 -35.22 77.82 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.146 -0.971 . . . . 25.0 111.544 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.54 -32.87 74.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.699 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.99 -34.78 77.19 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.97 -0.456 . . . . 25.0 111.015 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.0 t -68.83 -39.97 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 108.396 -0.964 . . . . 25.0 108.396 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -63.88 -40.22 96.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.895 -0.503 . . . . 25.0 110.71 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 11.8 ttt -66.02 -21.62 66.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.375 0.607 . . . . 25.0 111.732 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.9 ttm -76.16 -22.21 55.66 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.918 -0.489 . . . . 25.0 111.504 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t -115.25 -3.99 12.46 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.22 146.43 24.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.044 0.45 . . . . 25.0 110.894 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.9 tttt . . . . . 0 C--O 1.255 1.382 0 N-CA-C 101.181 -3.637 . . . . 25.0 101.181 174.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.673 -0.491 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -65.67 -28.36 69.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.481 0.658 . . . . 25.0 111.533 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -137.26 163.48 30.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.573 -0.739 . . . . 25.0 109.517 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.29 162.48 27.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.882 -1.054 . . . . 25.0 110.58 176.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.7 p -95.64 145.88 24.91 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.1 -31.77 72.83 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -65.07 -40.91 95.34 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.161 0.505 . . . . 25.0 111.271 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -65.39 -39.21 91.94 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 121.153 0.501 . . . . 25.0 110.494 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.26 -38.82 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 121.834 -0.541 . . . . 25.0 109.65 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.53 78.33 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.947 -0.471 . . . . 25.0 110.424 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.33 -46.66 83.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 122.552 1.168 . . . . 25.0 111.096 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -69.95 -25.83 63.83 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.571 -0.706 . . . . 25.0 112.258 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -70.5 -41.85 72.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 110.105 -0.331 . . . . 25.0 110.105 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -71.86 -34.4 69.19 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.473 -0.491 . . . . 25.0 110.322 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.24 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.129 -0.357 . . . . 25.0 110.525 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -67.2 -42.42 84.16 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.207 -0.308 . . . . 25.0 110.264 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -60.91 -33.87 73.8 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.662 0.744 . . . . 25.0 112.143 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.29 -37.98 85.15 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 122.276 1.036 . . . . 25.0 111.774 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -78.99 -36.75 40.8 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.727 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -77.21 102.39 6.62 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.394 0.616 . . . . 25.0 110.685 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -69.69 -23.38 63.43 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.608 0.966 . . . . 25.0 113.608 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -88.85 -28.11 20.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.945 0.402 . . . . 25.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.22 16.22 80.71 Favored Glycine 0 C--O 1.224 -0.503 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.58 -175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.15 -13.77 49.09 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.898 1.073 . . . . 25.0 113.898 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.92 -0.45 28.67 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 114.719 0.648 . . . . 25.0 114.719 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -132.19 145.15 51.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.662 0.731 . . . . 25.0 111.572 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -108.44 120.77 60.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -91.14 166.25 13.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 t -62.16 -27.71 69.14 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.563 0.696 . . . . 25.0 111.038 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -68.52 -44.79 73.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.534 0.683 . . . . 25.0 109.927 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.11 -42.27 80.5 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.599 -0.728 . . . . 25.0 111.526 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -59.01 -44.83 91.76 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -38.09 95.64 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-N 115.91 -0.586 . . . . 25.0 113.02 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.2 m -64.69 -41.59 95.92 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.826 -0.808 . . . . 25.0 110.229 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.17 -45.33 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 O-C-N 121.679 -0.638 . . . . 25.0 109.453 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.3 mmm -58.74 -42.35 88.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -72.48 -25.95 61.62 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 t -71.06 -26.9 63.28 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.86 3.62 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.633 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.35 8.54 81.02 Favored Glycine 0 C--O 1.222 -0.652 0 N-CA-C 114.632 0.613 . . . . 25.0 114.632 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -100.07 138.5 37.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.184 0.492 . . . . 25.0 109.689 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -119.44 59.83 5.35 Favored Pre-proline 0 CA--C 1.556 1.192 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -68.19 166.66 24.38 Favored 'Trans proline' 0 C--N 1.354 0.839 0 N-CA-C 114.936 1.091 . . . . 25.0 114.936 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.5 p -83.13 167.11 18.09 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.335 -0.616 . . . . 25.0 109.335 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -68.68 -32.28 71.98 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.564 -0.71 . . . . 25.0 111.085 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.43 80.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 25.0 110.409 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -67.18 -39.77 86.47 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.558 0.694 . . . . 25.0 109.571 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.1 mt -68.98 -25.72 64.67 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.063 -0.398 . . . . 25.0 110.841 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -76.07 -38.2 57.33 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 117.977 -1.011 . . . . 25.0 112.294 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.73 -27.93 68.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.652 1.115 . . . . 25.0 111.561 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 55.3 mtt -66.49 -27.03 67.47 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.173 0.511 . . . . 25.0 111.479 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.3 mt -87.19 -45.74 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.41 -32.61 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 123.456 0.702 . . . . 25.0 111.398 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.6 -20.82 22.93 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.69 -22.53 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -80.58 44.43 0.72 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.09 -14.18 62.86 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 121.163 0.506 . . . . 25.0 109.689 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -77.86 -18.41 56.26 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.582 174.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.44 4.16 89.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 119.638 2.615 . . . . 25.0 119.638 173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -79.24 -1.26 35.67 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.744 1.772 . . . . 25.0 114.318 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.88 -3.01 85.38 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.943 1.537 . . . . 25.0 116.943 173.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.3 p -137.03 171.25 14.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 117.227 0.513 . . . . 25.0 111.522 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.3 mt -105.44 109.9 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.24 169.02 12.68 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.78 -49.7 90.14 Favored Pre-proline 0 CA--C 1.552 1.055 0 N-CA-C 115.61 1.707 . . . . 25.0 115.61 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.39 -18.72 38.58 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 114.274 -3.351 . . . . 25.0 113.398 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -80.79 -22.71 39.84 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.699 -0.626 . . . . 25.0 111.238 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -67.74 -37.45 82.19 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 171.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.96 -37.81 84.95 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.046 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -64.26 -38.24 90.33 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.827 -0.546 . . . . 25.0 111.3 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.4 ttm -59.63 -44.09 93.61 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.78 -40.25 88.12 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 109.912 -0.403 . . . . 25.0 109.912 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.12 85.24 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.729 -0.607 . . . . 25.0 111.61 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -69.47 -13.05 62.14 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -106.16 -24.49 12.32 Favored 'General case' 0 C--O 1.209 -1.042 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.9 mmt -100.17 -4.64 29.15 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.745 -0.661 . . . . 25.0 112.367 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -71.14 153.56 42.42 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.921 0.391 . . . . 25.0 110.453 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -69.1 153.51 43.62 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 105.553 -2.017 . . . . 25.0 105.553 169.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -129.93 153.19 48.59 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.193 -1.039 . . . . 25.0 108.193 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -93.75 -142.3 0.23 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.0 p -64.11 -4.09 3.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.92 -19.1 65.67 Favored 'General case' 0 C--O 1.21 -1.001 0 O-C-N 121.228 -0.92 . . . . 25.0 111.16 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -63.99 -42.56 97.15 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.76 -40.53 88.28 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.729 0.775 . . . . 25.0 109.291 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.3 mt -64.42 -38.16 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.085 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -67.97 -36.45 80.07 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.696 -0.627 . . . . 25.0 111.926 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.43 -46.04 90.36 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.04 -34.78 78.31 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 123.492 0.495 . . . . 25.0 111.608 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.36 -41.11 93.01 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -70.06 -15.59 63.02 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -68.26 -35.52 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 175.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -88.33 -43.0 11.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 25.0 111.07 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -83.94 80.17 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.862 0.839 . . . . 25.0 110.551 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.79 -15.89 60.73 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.926 -1.034 . . . . 25.0 112.586 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -75.24 -27.01 59.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.276 0.56 . . . . 25.0 109.838 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.35 27.93 66.94 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-N 115.753 -0.658 . . . . 25.0 113.585 -175.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -105.84 5.7 30.96 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.956 1.836 . . . . 25.0 115.956 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 5.11 75.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 115.397 0.919 . . . . 25.0 115.397 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -134.96 133.46 39.54 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.4 mt -100.09 113.87 36.9 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 N-CA-C 106.828 -1.545 . . . . 25.0 106.828 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.9 p -78.47 160.58 27.63 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.893 -0.723 . . . . 25.0 109.967 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.83 76.54 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.91 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.241 0.544 . . . . 25.0 110.944 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -64.51 -46.59 82.29 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -43.79 92.56 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.006 0.431 . . . . 25.0 111.418 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.28 -37.12 82.02 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.815 -0.553 . . . . 25.0 110.627 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -65.7 -38.14 88.38 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.357 -0.537 . . . . 25.0 110.7 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.89 -43.31 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.1 mtp -62.83 -40.92 98.9 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.76 0.314 . . . . 25.0 111.292 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.5 m -61.53 -39.83 92.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.368 0.604 . . . . 25.0 110.025 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -73.82 -23.15 59.62 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.68 -13.43 60.62 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 121.504 0.669 . . . . 25.0 109.468 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.67 32.23 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.853 -0.612 . . . . 25.0 113.079 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.26 118.64 28.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.303 1.049 . . . . 25.0 112.592 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -95.85 61.73 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.79 155.58 40.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -84.84 166.69 16.68 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 106.556 -1.646 . . . . 25.0 106.556 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.96 -36.13 82.46 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 120.816 -0.354 . . . . 25.0 110.066 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -67.61 -37.07 82.01 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.21 -38.31 90.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.427 0.632 . . . . 25.0 109.842 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.07 -35.89 55.11 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.483 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.58 -41.99 87.01 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -60.96 -38.85 87.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 120.846 -0.342 . . . . 25.0 111.722 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.38 -34.17 74.13 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.0 mm -72.22 -37.46 59.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -59.08 -26.08 64.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -70.53 -15.95 62.83 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.169 0.509 . . . . 25.0 111.024 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -116.72 -26.5 6.96 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -77.99 90.13 4.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.735 0.643 . . . . 25.0 112.735 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.71 -44.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 122.982 0.513 . . . . 25.0 111.829 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -84.13 -9.99 58.14 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.971 1.1 . . . . 25.0 113.971 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.74 22.09 77.6 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.438 -0.646 . . . . 25.0 114.575 174.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -83.63 -0.49 50.81 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.74 11.1 80.21 Favored Glycine 0 C--O 1.249 1.033 0 N-CA-C 112.04 -0.424 . . . . 25.0 112.04 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.95 163.41 30.34 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.657 0.742 . . . . 25.0 111.126 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.47 113.87 44.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -75.26 167.46 21.87 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.37 -2.455 . . . . 25.0 104.37 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -59.23 -43.87 92.35 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 120.477 -1.389 . . . . 25.0 112.828 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.5 -39.04 91.4 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.717 -0.615 . . . . 25.0 112.587 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.78 -33.93 76.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.608 -0.723 . . . . 25.0 110.783 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -68.91 -39.02 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.165 0.507 . . . . 25.0 110.997 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.31 -42.87 97.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 146' ' ' THR . 33.3 tt0 -61.1 -43.62 98.6 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 122.139 -0.35 . . . . 25.0 111.013 176.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.3 ttt -56.98 -41.42 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.16 0.505 . . . . 25.0 111.206 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.7 ptm -93.67 4.22 54.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.47 1.285 . . . . 25.0 114.47 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 143' ' ' GLN . 2.4 t -109.77 -5.59 15.53 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.838 -0.538 . . . . 25.0 111.115 177.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.08 74.46 6.86 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 175.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.7 pttt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 116.783 -1.579 . . . . 25.0 108.001 -173.814 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 118.601 -0.714 . . . . 25.0 109.095 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -67.1 150.53 49.05 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.928 0.768 . . . . 25.0 110.742 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.79 175.06 13.28 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -159.76 -54.44 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.734 0.778 . . . . 25.0 111.07 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -44.4 97.36 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.091 0.774 . . . . 25.0 113.091 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.52 -18.33 65.3 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.553 0.945 . . . . 25.0 113.553 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -65.22 -48.66 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -67.94 -34.06 75.87 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 120.923 0.392 . . . . 25.0 110.52 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.7 -40.56 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 107.996 -1.112 . . . . 25.0 107.996 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.75 83.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.038 0.381 . . . . 25.0 110.717 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.72 -47.93 83.7 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.618 0.723 . . . . 25.0 110.827 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -72.43 -21.07 61.31 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.425 -0.797 . . . . 25.0 111.729 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.68 -37.7 73.67 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.809 -0.557 . . . . 25.0 110.474 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.64 -42.82 90.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.59 76.41 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.365 -0.38 . . . . 25.0 111.178 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -67.73 -45.09 76.02 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -63.26 -29.94 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.811 0.815 . . . . 25.0 110.547 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.51 -21.92 65.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.814 -0.63 . . . . 25.0 111.827 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -102.79 -39.52 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.546 0.338 . . . . 25.0 111.203 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -80.83 82.17 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.02 0.914 . . . . 25.0 110.855 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -71.08 -21.66 62.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.22 -14.01 19.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.87 13.08 82.73 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.6 -2.68 43.66 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.05 4.84 66.52 Favored Glycine 0 CA--C 1.517 0.216 0 CA-C-O 119.588 -0.562 . . . . 25.0 114.165 178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -130.87 155.93 45.91 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 117.66 0.73 . . . . 25.0 111.321 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -119.18 125.04 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -113.07 169.93 8.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -62.01 -28.03 69.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.818 -0.551 . . . . 25.0 112.451 -175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.98 -39.05 87.08 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.634 -0.666 . . . . 25.0 110.725 174.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -72.22 -36.81 69.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.35 -0.982 . . . . 25.0 108.35 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.02 87.99 Favored Glycine 0 C--O 1.221 -0.659 0 CA-C-N 115.811 -0.631 . . . . 25.0 113.248 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.6 m -63.81 -43.97 94.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.5 t -68.13 -41.01 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 122.163 -0.336 . . . . 25.0 110.42 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.4 mmt -60.91 -41.11 95.47 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.838 -0.539 . . . . 25.0 111.754 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -67.49 -32.42 73.23 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.95 -0.469 . . . . 25.0 110.973 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 t -67.37 -31.02 70.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.867 0.365 . . . . 25.0 110.033 175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.49 5.65 19.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.176 -0.465 . . . . 25.0 111.153 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.33 90.2 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 114.138 0.415 . . . . 25.0 114.138 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -86.73 149.68 24.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.267 0.534 . . . . 25.0 110.869 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -123.45 54.33 6.9 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.89 163.57 38.0 Favored 'Trans proline' 0 C--O 1.244 0.785 0 C-N-CA 117.824 -0.984 . . . . 25.0 113.501 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.0 p -81.65 165.14 21.3 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.864 -0.607 . . . . 25.0 109.422 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.11 -27.97 66.06 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.164 -0.96 . . . . 25.0 112.807 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.65 69.59 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.546 0.689 . . . . 25.0 109.147 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -66.42 -40.08 89.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.019 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.7 mt -67.71 -23.5 65.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 25.0 111.548 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -79.44 -40.5 29.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.168 -0.444 . . . . 25.0 111.707 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -69.92 -26.07 63.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.932 0.787 . . . . 25.0 111.837 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 59.1 mtt -60.24 -32.4 71.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.999 0.428 . . . . 25.0 110.381 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mt -83.63 -44.14 18.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.923 0 CA-C-O 119.126 -0.464 . . . . 25.0 110.12 177.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.36 -32.42 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 118.2 0.454 . . . . 25.0 112.157 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.66 -17.17 59.99 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.18 -34.51 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.738 0.78 . . . . 25.0 109.602 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.12 59.04 2.62 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.098 1.359 . . . . 25.0 112.416 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.49 61.32 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.319 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.23 -17.42 46.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.623 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.09 5.89 89.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 117.598 1.799 . . . . 25.0 117.598 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -3.67 58.53 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.32 1.56 . . . . 25.0 114.724 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.34 2.56 90.62 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.204 2.041 . . . . 25.0 118.204 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -137.29 146.51 44.76 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.123 0.961 . . . . 25.0 111.326 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.5 123.16 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -105.47 -178.2 3.58 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -59.75 -47.32 97.72 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 115.953 1.835 . . . . 25.0 115.953 -176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -66.82 -27.34 44.06 Favored 'Trans proline' 0 C--N 1.356 0.925 1 C-N-CA 113.179 -4.081 . . . . 25.0 114.785 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -75.93 -27.27 57.53 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.17 -0.957 . . . . 25.0 110.816 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.84 -37.82 85.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -40.36 96.75 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.805 -0.443 . . . . 25.0 109.805 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.3 m -65.97 -38.65 89.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.5 . . . . 25.0 110.825 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.7 ttp -61.87 -32.85 73.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.992 0.517 . . . . 25.0 110.98 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mmt -83.79 -33.17 25.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.04 176.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.67 -28.1 69.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.943 -0.473 . . . . 25.0 111.806 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -82.54 -3.01 55.29 Favored 'General case' 0 C--O 1.218 -0.591 0 O-C-N 121.275 -0.891 . . . . 25.0 112.213 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -108.56 0.04 20.59 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.0 ptm -85.02 -0.04 53.09 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.249 0.547 . . . . 25.0 110.222 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -84.54 157.72 21.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.686 -0.688 . . . . 25.0 109.179 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 60.16 -154.92 0.36 Allowed 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 171.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -158.52 -177.56 6.63 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 104.66 -2.348 . . . . 25.0 104.66 -169.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 65.94 22.63 11.3 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.612 1.165 . . . . 25.0 112.929 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.3 p -74.99 158.28 33.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -57.27 -39.12 75.03 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 122.027 -0.42 . . . . 25.0 111.808 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.76 -35.23 79.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.716 0.293 . . . . 25.0 110.484 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.5 -39.57 74.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.874 -0.517 . . . . 25.0 109.892 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.56 -37.7 80.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.39 -44.09 95.71 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.909 -0.495 . . . . 25.0 110.152 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -66.62 -38.0 86.04 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.639 -0.424 . . . . 25.0 111.507 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.05 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.816 0.341 . . . . 25.0 110.329 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.78 -40.46 97.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.984 0.421 . . . . 25.0 110.113 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -67.51 -18.48 65.06 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.55 -35.66 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -92.97 -44.42 8.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.353 0.501 . . . . 25.0 112.353 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -82.82 82.97 7.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.444 0.64 . . . . 25.0 110.673 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -68.79 -24.14 64.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.115 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -73.41 -26.89 61.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.209 0.528 . . . . 25.0 110.215 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 21.83 77.68 Favored Glycine 0 C--O 1.223 -0.579 0 N-CA-C 111.64 -0.584 . . . . 25.0 111.64 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -93.53 2.71 56.33 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.224 1.194 . . . . 25.0 114.224 -173.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 8.26 64.08 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 114.48 0.552 . . . . 25.0 114.48 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.91 137.98 35.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.253 -0.277 . . . . 25.0 110.253 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -103.22 116.72 47.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.708 -1.59 . . . . 25.0 106.708 172.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -88.4 165.27 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.168 -0.679 . . . . 25.0 109.168 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.89 80.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.993 0.425 . . . . 25.0 110.33 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.71 98.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 25.0 110.892 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.91 -43.36 83.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.716 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.0 tp -62.95 -42.79 99.92 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 25.0 111.466 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.86 -46.92 85.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 176.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.42 -39.47 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 122.307 -0.245 . . . . 25.0 110.61 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.72 -38.89 89.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.601 0.715 . . . . 25.0 111.475 176.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 m -66.88 -35.59 80.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.046 -0.524 . . . . 25.0 110.19 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -70.28 -29.41 66.16 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 122.094 -0.379 . . . . 25.0 110.989 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.5 mt -71.65 -19.97 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.09 0.471 . . . . 25.0 110.009 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.47 6.04 61.39 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-N 116.168 -0.469 . . . . 25.0 112.169 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -69.8 148.91 48.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.117 0.484 . . . . 25.0 109.904 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -120.07 36.29 4.58 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.922 0.868 . . . . 25.0 110.93 -172.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.56 163.24 27.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 113.907 -1.497 . . . . 25.0 108.051 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 120' ' ' GLU . 50.5 p -91.65 171.88 8.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -66.41 -33.57 76.0 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.148 0.579 . . . . 25.0 111.447 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 117' ' ' THR . 2.0 mm-40 -65.24 -36.66 84.83 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.567 0.698 . . . . 25.0 109.519 178.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.3 t -75.37 -38.36 40.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.99 -39.97 94.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.495 0.664 . . . . 25.0 110.325 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.5 -40.85 89.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 110.573 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.9 mtm -64.08 -31.99 73.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.096 -0.378 . . . . 25.0 111.757 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.09 -40.25 78.13 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.76 -35.73 73.23 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -70.72 -18.66 62.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 111.736 0.272 . . . . 25.0 111.736 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.03 -22.62 13.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.852 0.358 . . . . 25.0 111.811 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -83.28 79.31 9.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.075 0.94 . . . . 25.0 112.049 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.42 -40.76 89.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.996 -1.002 . . . . 25.0 110.953 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -81.82 -14.79 55.86 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.67 18.12 71.38 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 117.651 1.82 . . . . 25.0 117.651 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -85.09 -1.14 56.52 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.188 1.494 . . . . 25.0 114.291 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.19 6.26 71.68 Favored Glycine 0 N--CA 1.461 0.336 0 C-N-CA 121.416 -0.421 . . . . 25.0 113.69 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -137.65 167.14 22.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.416 0.627 . . . . 25.0 110.26 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.21 114.95 44.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.283 -1.377 . . . . 25.0 107.283 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -78.95 170.56 16.49 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.64 -43.24 97.8 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.145 0.794 . . . . 25.0 113.145 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.44 -35.49 81.08 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.515 -0.74 . . . . 25.0 111.311 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -70.23 -30.01 66.97 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.76 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -66.53 -36.41 82.61 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.913 -0.403 . . . . 25.0 109.913 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.4 t -66.41 -40.67 87.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -62.67 -41.81 99.29 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.76 0.314 . . . . 25.0 110.508 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.46 -37.75 88.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 25.0 110.5 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.1 ttm -69.06 -41.4 77.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.145 0.424 . . . . 25.0 112.145 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.8 t -83.26 -10.19 58.69 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.397 0.888 . . . . 25.0 113.397 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -147.79 57.06 1.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.685 0.624 . . . . 25.0 112.685 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 75.2 tttt . . . . . 0 C--O 1.253 1.274 0 CA-C-O 116.408 -1.758 . . . . 25.0 108.75 174.284 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 118.97 -0.538 . . . . 25.0 109.85 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 54.59 39.16 31.0 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.627 1.204 . . . . 25.0 114.188 170.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -103.79 158.29 16.49 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.6 157.19 30.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.3 p -60.38 143.32 53.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.47 -25.04 65.74 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.428 0.899 . . . . 25.0 113.428 -175.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.63 -41.41 96.18 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.302 -0.248 . . . . 25.0 110.628 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -67.11 -40.49 86.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.336 0.589 . . . . 25.0 110.088 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.33 -38.66 81.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.33 82.23 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 122.138 -0.351 . . . . 25.0 110.463 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.99 -48.49 79.85 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 122.078 0.942 . . . . 25.0 109.971 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.87 -30.56 69.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.976 -0.556 . . . . 25.0 111.047 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -69.1 -36.46 77.57 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 118.118 0.417 . . . . 25.0 110.301 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -68.72 -43.33 76.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.82 81.76 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.859 0.362 . . . . 25.0 110.519 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -69.53 -43.02 73.89 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -64.66 -31.11 72.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 25.0 111.256 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.21 -36.45 83.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.6 0.715 . . . . 25.0 109.118 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.92 -35.78 21.89 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.593 -0.73 . . . . 25.0 112.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -78.99 86.85 4.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.936 0.874 . . . . 25.0 110.426 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -69.0 -27.6 65.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -100.3 -11.13 20.58 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.49 12.59 83.6 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 117.073 1.589 . . . . 25.0 117.073 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -81.7 -0.87 44.75 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.652 1.352 . . . . 25.0 114.652 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 5.23 70.37 Favored Glycine 0 CA--C 1.517 0.176 0 N-CA-C 114.664 0.626 . . . . 25.0 114.664 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 p -133.03 159.18 40.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.327 0.584 . . . . 25.0 111.835 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.7 mm -109.5 130.28 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.281 -1.748 . . . . 25.0 106.281 173.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -111.44 166.11 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 p -60.44 -35.07 74.96 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.35 -44.32 92.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.825 0.821 . . . . 25.0 110.456 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -71.62 -36.82 70.88 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.275 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.79 -42.0 97.81 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 176.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.67 93.63 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-N 115.826 -0.624 . . . . 25.0 111.841 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.4 m -61.16 -45.69 93.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.123 0.462 . . . . 25.0 109.975 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.95 -42.84 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.2 mmm -61.95 -39.37 91.87 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.76 -0.588 . . . . 25.0 111.405 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -72.03 -26.12 62.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 121.886 -0.509 . . . . 25.0 111.859 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -71.42 -29.04 64.42 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.73 -10.45 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.303 -0.408 . . . . 25.0 110.575 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 9.26 64.27 Favored Glycine 0 C--O 1.235 0.214 0 CA-C-N 116.352 -0.385 . . . . 25.0 113.769 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -76.52 165.14 25.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.36 0.58 . . . . 25.0 111.387 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -123.52 58.02 12.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-N 115.826 -0.624 . . . . 25.0 112.283 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.28 162.31 36.6 Favored 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 115.677 -2.415 . . . . 25.0 113.504 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.3 p -89.13 156.75 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 105.538 -2.023 . . . . 25.0 105.538 172.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.18 -20.01 63.15 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 119.475 -0.89 . . . . 25.0 110.081 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.0 80.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.032 -0.359 . . . . 25.0 110.032 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.35 -39.9 81.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.105 0.955 . . . . 25.0 109.097 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.5 mt -66.62 -31.53 72.28 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.642 -0.662 . . . . 25.0 109.801 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -69.22 -44.15 72.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 118.904 -0.569 . . . . 25.0 110.702 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.82 -31.9 72.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.426 1.012 . . . . 25.0 110.187 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mtp -65.02 -27.92 69.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -43.73 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.212 -0.292 . . . . 25.0 110.212 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.49 -26.57 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.279 0.632 . . . . 25.0 110.523 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.36 -29.5 34.71 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.965 0.728 . . . . 25.0 112.965 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 t -120.81 -30.29 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 112.065 0.394 . . . . 25.0 112.065 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -77.7 59.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.766 0.826 . . . . 25.0 113.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.16 66.57 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 122.052 -0.405 . . . . 25.0 111.218 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -78.35 -17.54 56.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.837 0.455 . . . . 25.0 111.137 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.25 17.56 78.87 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -4.38 53.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 118.789 1.295 . . . . 25.0 112.594 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.6 1.15 81.07 Favored Glycine 0 C--O 1.236 0.263 0 N-CA-C 115.581 0.992 . . . . 25.0 115.581 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -133.8 160.35 37.87 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 117.839 0.82 . . . . 25.0 112.946 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.5 mt -109.28 104.48 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 172.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -78.22 170.28 16.89 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -50.81 -49.22 80.97 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 115.669 1.729 . . . . 25.0 115.669 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.82 -23.04 26.42 Favored 'Trans proline' 0 C--N 1.355 0.871 1 C-N-CA 112.731 -4.379 . . . . 25.0 113.636 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -74.99 -28.69 60.64 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -70.87 -36.28 72.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.35 -39.37 93.75 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.37 -40.69 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.158 0.504 . . . . 25.0 110.577 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.9 ttt -58.93 -39.52 81.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.185 0.517 . . . . 25.0 110.216 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.2 mmt -77.69 -33.47 53.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.32 70.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.019 0.437 . . . . 25.0 111.058 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -63.3 -26.58 68.83 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.514 -0.741 . . . . 25.0 111.385 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -89.87 -14.1 35.03 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.119 -0.326 . . . . 25.0 110.119 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.6 mtt -93.08 20.89 6.31 Favored 'General case' 0 C--O 1.218 -0.597 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.4 137.72 58.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 105.179 -2.156 . . . . 25.0 105.179 173.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.5 t0 77.58 72.56 0.06 Allowed 'General case' 0 N--CA 1.48 1.056 0 O-C-N 125.686 1.866 . . . . 25.0 109.581 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.6 t -159.85 176.8 11.49 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 102.896 -3.001 . . . . 25.0 102.896 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -54.9 127.59 29.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.402 0.62 . . . . 25.0 111.597 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.6 p -156.82 -166.45 2.1 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.748 0.785 . . . . 25.0 111.891 -172.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.92 -15.71 63.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.369 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.01 -44.46 92.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.987 -0.445 . . . . 25.0 111.398 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -68.46 -32.4 72.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.287 0.565 . . . . 25.0 110.879 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.81 -37.43 79.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -65.76 -41.16 92.44 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.975 -0.453 . . . . 25.0 110.376 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.3 -48.06 79.67 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.145 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.05 79.33 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.17 0.509 . . . . 25.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -62.46 -45.71 91.79 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.36 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -72.25 -15.59 61.92 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 113.699 1.0 . . . . 25.0 113.699 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.64 -41.57 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 174.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.08 -45.73 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 25.0 110.455 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -85.82 58.34 4.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.076 0.941 . . . . 25.0 109.379 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.27 -24.49 67.89 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.838 1.422 . . . . 25.0 114.838 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -94.21 4.02 54.46 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.193 -0.317 . . . . 25.0 111.824 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.2 27.03 72.51 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 118.243 2.057 . . . . 25.0 118.243 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -65.65 -27.0 68.05 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.264 1.532 . . . . 25.0 112.679 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.81 5.0 64.87 Favored Glycine 0 C--N 1.32 -0.317 0 N-CA-C 109.018 -1.633 . . . . 25.0 109.018 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -144.99 145.76 31.65 Favored 'General case' 0 C--O 1.251 1.166 0 C-N-CA 123.67 0.788 . . . . 25.0 111.868 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.5 mt -106.93 118.8 55.39 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 N-CA-C 106.04 -1.837 . . . . 25.0 106.04 170.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -91.24 163.68 14.16 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.87 83.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 25.0 110.176 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.96 94.53 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.253 0.549 . . . . 25.0 110.938 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -73.07 -40.2 65.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.414 -0.357 . . . . 25.0 110.2 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.87 -44.56 96.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -62.04 -34.02 75.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.396 0.517 . . . . 25.0 112.396 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -62.83 -45.76 91.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.36 -46.43 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.702 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.8 mtt -58.02 -42.61 85.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 25.0 111.61 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.7 m -62.11 -36.37 81.53 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 122.001 -0.437 . . . . 25.0 110.529 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -73.3 -26.54 61.11 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.729 0.299 . . . . 25.0 110.91 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.95 -17.41 59.75 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.024 0.44 . . . . 25.0 110.129 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.91 -2.74 55.58 Favored Glycine 0 C--O 1.238 0.396 0 CA-C-N 115.972 -0.558 . . . . 25.0 112.049 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.66 157.73 34.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -139.28 56.92 1.66 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.149 0.426 . . . . 25.0 112.149 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.94 159.25 34.56 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.1 p -89.39 168.58 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -64.21 -35.21 80.05 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.56 -35.13 76.98 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 112.435 0.532 . . . . 25.0 112.435 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.83 -40.59 83.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -68.29 -40.51 82.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.41 -43.85 96.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.783 0.325 . . . . 25.0 110.618 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -62.77 -43.96 97.44 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.048 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.2 mtp -64.45 -33.61 76.29 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.02 -40.04 84.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.656 -0.498 . . . . 25.0 109.656 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -58.46 -35.09 71.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.74 -19.68 65.16 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.646 0.26 . . . . 25.0 111.436 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.11 -19.88 13.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.86 0.362 . . . . 25.0 111.544 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -82.92 82.22 8.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.05 -43.88 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.06 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -87.62 -6.11 58.43 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.155 1.168 . . . . 25.0 114.155 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.83 21.17 78.97 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.909 1.124 . . . . 25.0 115.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -86.01 -0.59 55.9 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.566 1.321 . . . . 25.0 114.566 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 7.92 84.86 Favored Glycine 0 C--O 1.239 0.411 0 O-C-N 121.867 -0.521 . . . . 25.0 113.81 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -134.97 167.11 21.53 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.256 0.551 . . . . 25.0 110.204 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.11 116.96 46.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.76 167.07 21.1 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -60.14 -45.47 92.92 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 119.531 -0.868 . . . . 25.0 112.032 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -62.93 -38.68 91.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.529 0.681 . . . . 25.0 111.647 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.74 -33.87 76.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.156 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -70.21 -36.1 74.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.129 -0.357 . . . . 25.0 110.378 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.99 -42.67 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -61.75 -45.6 93.23 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.09 -20.76 66.18 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.459 0.647 . . . . 25.0 111.572 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.2 ttm -83.19 -36.02 25.0 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.26 -0.9 . . . . 25.0 111.786 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 10.7 t -95.37 -17.15 21.82 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.343 1.238 . . . . 25.0 114.343 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -135.7 150.79 49.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.645 0.26 . . . . 25.0 110.357 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.7 mptt . . . . . 0 C--O 1.258 1.549 0 N-CA-C 101.442 -3.54 . . . . 25.0 101.442 179.401 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 158.24 36.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.09 -2.189 . . . . 25.0 105.09 169.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -121.69 172.3 8.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.663 0.602 . . . . 25.0 109.734 -175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.23 126.49 28.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.011 0.91 . . . . 25.0 109.969 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -78.24 -25.4 46.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.849 -0.614 . . . . 25.0 109.386 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -62.35 -34.6 76.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.437 -0.347 . . . . 25.0 111.863 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -65.93 -45.61 81.21 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.024 -0.27 . . . . 25.0 110.57 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.5 -38.39 89.72 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 122.007 -0.433 . . . . 25.0 111.443 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.42 -41.54 92.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 N-CA-C 108.443 -0.947 . . . . 25.0 108.443 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.05 90.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.356 0.525 . . . . 25.0 111.215 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.06 -59.2 5.65 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.671 1.224 . . . . 25.0 110.813 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -75.48 -15.57 60.4 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.95 -1.023 . . . . 25.0 112.555 -172.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -65.79 -41.85 91.47 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.658 0.663 . . . . 25.0 109.892 174.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.33 -39.6 74.65 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.827 -0.749 . . . . 25.0 109.084 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.76 81.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.966 -0.294 . . . . 25.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.64 -44.8 89.31 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -64.05 -27.14 68.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 25.0 111.206 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.88 -32.03 63.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.628 -0.26 . . . . 25.0 110.819 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -85.49 -30.28 23.58 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.852 0.358 . . . . 25.0 111.325 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -83.6 92.36 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.676 0.75 . . . . 25.0 109.6 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -76.37 -24.52 54.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 -170.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -108.09 -10.64 15.42 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.04 22.54 65.54 Favored Glycine 0 C--O 1.225 -0.456 0 N-CA-C 115.746 1.058 . . . . 25.0 115.746 172.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -81.85 -7.82 59.63 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.72 1.007 . . . . 25.0 113.72 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.37 1.59 57.93 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 114.729 0.652 . . . . 25.0 114.729 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -131.95 161.05 34.05 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.946 0.873 . . . . 25.0 112.131 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mm -116.72 120.16 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 105.281 -2.118 . . . . 25.0 105.281 173.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -101.11 165.75 11.15 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -34.1 61.47 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.825 -0.547 . . . . 25.0 111.766 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -64.29 -39.4 93.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.01 -0.431 . . . . 25.0 111.368 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.48 -43.83 54.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.2 tp -60.13 -44.63 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 25.0 110.641 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.13 -32.2 83.38 Favored Glycine 0 C--O 1.225 -0.459 0 CA-C-N 115.683 -0.69 . . . . 25.0 112.861 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.9 m -66.68 -46.65 74.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.663 0.731 . . . . 25.0 109.826 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.81 -36.78 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.937 0.398 . . . . 25.0 110.152 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.0 mtt -66.51 -31.06 71.55 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.27 -0.894 . . . . 25.0 112.083 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -73.91 -23.53 59.57 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.167 -0.958 . . . . 25.0 111.111 176.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.2 m -71.54 -21.7 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.789 0.328 . . . . 25.0 110.639 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.3 mt -91.28 10.25 28.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.814 173.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.73 7.79 83.8 Favored Glycine 0 CA--C 1.517 0.163 0 N-CA-C 114.546 0.578 . . . . 25.0 114.546 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -83.76 143.11 30.2 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.272 -0.546 . . . . 25.0 110.095 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -124.79 52.91 6.65 Favored Pre-proline 0 CA--C 1.551 1.012 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -76.22 164.52 31.0 Favored 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 116.128 -2.115 . . . . 25.0 113.251 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.4 p -76.52 164.71 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.33 -22.87 62.76 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 122.048 -0.407 . . . . 25.0 110.925 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.22 -42.9 71.69 Favored 'General case' 0 C--O 1.208 -1.117 0 N-CA-C 109.913 -0.402 . . . . 25.0 109.913 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.34 -39.82 94.66 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.41 -33.5 75.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.103 -0.373 . . . . 25.0 110.766 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.61 -42.89 70.35 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 110.303 -0.258 . . . . 25.0 110.303 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.19 -35.91 76.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 25.0 110.41 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.0 mtt -67.28 -25.77 66.21 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -80.92 -47.08 20.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.87 -32.86 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 120.798 0.332 . . . . 25.0 110.392 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.02 -21.6 59.32 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.972 1.471 . . . . 25.0 114.972 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.55 -13.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.511 1.3 . . . . 25.0 114.511 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -77.73 65.51 3.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.967 0.889 . . . . 25.0 112.954 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -24.34 67.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -89.47 -7.17 55.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.22 73.79 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 116.444 1.337 . . . . 25.0 116.444 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -2.13 50.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.632 1.216 . . . . 25.0 113.669 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.44 -1.6 86.01 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 115.579 0.992 . . . . 25.0 115.579 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.3 p -133.91 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.073 0.936 . . . . 25.0 111.048 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.8 mt -84.91 121.48 36.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.11 -1.811 . . . . 25.0 106.11 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 178.97 4.41 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -49.57 -55.54 22.07 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -171.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.24 -26.08 30.38 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 113.513 -3.858 . . . . 25.0 114.62 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.43 -33.24 66.95 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.956 -0.465 . . . . 25.0 109.924 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -68.7 -42.35 77.87 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.97 -42.64 94.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.805 -1.183 . . . . 25.0 107.805 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.7 m -64.35 -41.71 96.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.828 -0.169 . . . . 25.0 111.401 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.0 ttm -63.0 -42.05 99.75 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.825 -0.547 . . . . 25.0 111.582 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.5 mmt -77.19 -37.41 53.63 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.363 -0.535 . . . . 25.0 109.92 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.12 91.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.961 -0.462 . . . . 25.0 110.393 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -72.36 4.38 3.8 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.638 -1.289 . . . . 25.0 113.661 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -118.29 -18.51 9.24 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.5 mtt -125.54 12.22 8.03 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 -171.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -81.16 62.5 5.13 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -105.47 159.18 16.13 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 t -78.27 -5.0 50.67 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 121.077 0.465 . . . . 25.0 111.247 -176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -129.72 95.91 4.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 103.6 -2.741 . . . . 25.0 103.6 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.0 p -154.96 159.43 40.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 -171.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.26 -19.25 63.13 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -68.78 -29.37 67.73 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.435 -0.791 . . . . 25.0 111.15 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.39 -40.24 81.41 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.872 0.844 . . . . 25.0 109.044 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.0 mt -66.16 -40.23 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.452 -0.795 . . . . 25.0 108.896 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -65.31 -42.37 93.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.197 -0.314 . . . . 25.0 111.706 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.43 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.95 86.24 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.88 -45.26 93.39 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.271 -0.268 . . . . 25.0 110.529 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -70.07 -22.64 63.04 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.834 0.679 . . . . 25.0 112.834 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.57 -38.09 81.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -87.98 -39.31 14.8 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.576 -0.45 . . . . 25.0 111.811 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -81.66 76.44 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.009 0.909 . . . . 25.0 110.339 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -66.24 -23.72 66.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.214 -0.903 . . . . 25.0 112.138 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -75.72 -24.6 56.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.381 -0.372 . . . . 25.0 111.406 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.14 13.12 79.61 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 116.042 -0.526 . . . . 25.0 112.733 -172.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -88.24 2.17 52.89 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.469 1.655 . . . . 25.0 115.469 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.55 4.19 68.2 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 116.238 1.255 . . . . 25.0 116.238 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.56 143.64 35.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.0 mt -110.62 111.07 34.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.6 p -82.93 161.58 21.78 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.508 -0.745 . . . . 25.0 109.888 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.22 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.891 0.377 . . . . 25.0 111.067 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.56 83.28 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.341 0.591 . . . . 25.0 110.914 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -69.87 -41.91 74.2 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.081 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.93 -45.98 89.92 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -58.38 -37.86 76.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.354 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -62.67 -45.6 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.126 0.489 . . . . 25.0 110.456 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.99 -47.0 92.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 89.1 mtp -59.08 -39.3 81.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.5 m -63.06 -42.16 99.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.773 -0.454 . . . . 25.0 109.773 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -71.89 -24.95 61.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.739 0.304 . . . . 25.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.6 mt -76.85 -19.66 57.23 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.022 0.529 . . . . 25.0 110.546 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.48 24.42 31.04 Favored Glycine 0 C--O 1.242 0.617 0 C-N-CA 121.287 -0.482 . . . . 25.0 113.239 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.89 163.98 18.41 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.685 0.755 . . . . 25.0 112.632 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -129.45 57.53 1.66 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.749 . . . . 25.0 111.75 -173.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.85 162.48 22.09 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 105.634 -1.987 . . . . 25.0 105.634 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.6 p -93.44 167.93 11.39 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.23 -32.94 74.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.21 -32.19 69.98 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.539 -0.755 . . . . 25.0 111.403 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.35 -35.31 73.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.07 -38.21 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.98 -48.24 82.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.03 -37.83 83.95 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.591 -0.693 . . . . 25.0 112.102 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.92 -32.32 73.59 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.976 -0.452 . . . . 25.0 111.966 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -75.96 -41.17 38.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.131 -0.322 . . . . 25.0 110.131 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -57.84 -35.49 70.98 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 -174.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.8 -25.21 64.58 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.624 0.249 . . . . 25.0 111.517 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.13 -17.11 14.25 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -82.73 82.1 8.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.75 0.786 . . . . 25.0 111.979 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.17 -40.54 87.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.826 -177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -86.18 -14.68 43.31 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.16 17.92 77.36 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 116.274 1.27 . . . . 25.0 116.274 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -83.27 -0.65 50.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.05 10.75 77.81 Favored Glycine 0 C--O 1.247 0.923 0 C-N-CA 120.969 -0.634 . . . . 25.0 113.052 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -135.84 162.36 33.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.69 0.757 . . . . 25.0 110.261 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.05 118.1 49.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -79.11 171.12 15.64 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 105.469 -2.049 . . . . 25.0 105.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.14 -43.45 95.71 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.805 -0.758 . . . . 25.0 111.929 175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.22 -40.91 97.02 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.527 0.679 . . . . 25.0 111.774 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -66.29 -32.65 74.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 25.0 109.883 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -67.7 -34.94 77.89 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.166 -0.334 . . . . 25.0 110.81 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.22 -40.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -62.8 -43.36 99.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.347 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 10.4 ttt -66.01 -19.07 65.73 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 tpp -81.68 -28.25 33.61 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.836 -0.54 . . . . 25.0 110.913 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.3 t -107.09 -7.96 16.69 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -146.07 165.29 29.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt . . . . . 0 CA--C 1.505 -0.788 0 N-CA-C 107.462 -1.31 . . . . 25.0 107.462 176.756 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -63.88 144.93 56.67 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 104.594 -2.373 . . . . 25.0 104.594 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -56.22 127.9 33.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.581 1.181 . . . . 25.0 113.51 -170.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.1 tp -143.14 -179.52 6.43 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 104.66 -2.348 . . . . 25.0 104.66 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -56.5 -45.05 81.24 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.43 -26.17 62.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.894 -0.503 . . . . 25.0 112.168 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -71.8 -37.98 70.33 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.38 -38.45 87.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.094 0.473 . . . . 25.0 110.371 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.14 -37.24 76.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.53 -35.89 78.09 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.906 -0.496 . . . . 25.0 111.103 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -64.35 -40.76 96.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.305 0.574 . . . . 25.0 109.744 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -69.45 -26.97 64.85 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.49 -0.756 . . . . 25.0 111.309 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -66.12 -37.3 85.39 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.925 -0.398 . . . . 25.0 109.925 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -40.78 90.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.12 80.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.84 0.352 . . . . 25.0 110.86 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -67.92 -42.94 80.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.006 0.431 . . . . 25.0 110.04 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.9 t -66.96 -19.78 65.78 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.168 0.509 . . . . 25.0 111.012 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.92 -23.38 62.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.308 -0.406 . . . . 25.0 110.455 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.23 -42.31 8.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 122.296 0.239 . . . . 25.0 111.417 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -74.66 96.82 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.83 0.824 . . . . 25.0 111.454 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -80.0 -24.46 40.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.54 -0.755 . . . . 25.0 111.627 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -76.01 -27.93 57.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 25.0 110.939 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.32 27.59 61.44 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 121.203 -0.523 . . . . 25.0 112.122 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -107.67 -1.13 21.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.804 1.039 . . . . 25.0 113.804 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 9.94 65.13 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 115.167 0.827 . . . . 25.0 115.167 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -131.43 156.65 45.24 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 117.712 0.756 . . . . 25.0 112.118 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mt -119.58 120.8 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -111.6 169.67 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -56.67 -33.57 66.52 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.665 0.666 . . . . 25.0 112.644 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -58.29 -43.78 88.17 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.773 0.797 . . . . 25.0 110.629 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.12 -41.06 43.51 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.91 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.51 -46.14 91.22 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.828 -0.624 . . . . 25.0 109.343 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.72 -32.63 84.84 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 116.168 -0.469 . . . . 25.0 112.691 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.6 m -64.44 -39.88 94.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.124 0.462 . . . . 25.0 109.864 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.68 -43.03 62.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 121.954 -0.466 . . . . 25.0 110.358 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.9 mmt -60.35 -44.37 95.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.926 -0.484 . . . . 25.0 112.122 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -71.26 -20.37 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.403 -0.811 . . . . 25.0 112.223 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -76.72 -21.76 54.85 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.881 -0.512 . . . . 25.0 109.7 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.48 -5.96 59.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 174.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.13 6.66 68.83 Favored Glycine 0 C--O 1.226 -0.353 0 CA-C-N 116.09 -0.504 . . . . 25.0 113.428 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -77.11 150.89 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -116.57 59.55 2.01 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 122.953 0.501 . . . . 25.0 111.904 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.01 158.48 45.84 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 116.199 -2.068 . . . . 25.0 113.676 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.9 p -83.48 162.68 20.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 175.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -67.37 -31.13 71.16 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.394 -0.816 . . . . 25.0 110.741 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.76 76.22 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -59.91 -41.53 91.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.426 0.631 . . . . 25.0 109.624 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.57 -37.11 82.17 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.201 -0.454 . . . . 25.0 111.407 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.63 -41.37 65.57 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.651 -0.25 . . . . 25.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.92 -33.24 74.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.03 -24.79 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.047 0.451 . . . . 25.0 111.164 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -83.7 -45.48 18.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.3 mt -56.52 -38.27 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 122.364 0.266 . . . . 25.0 111.084 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' CD ' HH12 ' A' ' 74' ' ' ARG . 1.6 mm-40 -58.27 -19.22 32.54 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 178.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.8 -3.97 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 113.796 1.035 . . . . 25.0 113.796 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.78 56.64 2.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.504 0.721 . . . . 25.0 112.486 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.22 -16.45 60.22 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -99.64 -0.26 40.62 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.143 0.423 . . . . 25.0 112.143 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 16.56 67.53 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.973 1.549 . . . . 25.0 116.973 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -84.31 3.62 34.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.9 1.444 . . . . 25.0 114.9 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.19 7.44 88.45 Favored Glycine 0 C--O 1.24 0.492 0 N-CA-C 115.489 0.955 . . . . 25.0 115.489 173.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.1 p -141.55 162.93 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.146 0.473 . . . . 25.0 111.388 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.1 mt -93.12 113.92 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 172.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.13 172.18 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.09 -46.03 99.74 Favored Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 116.347 1.98 . . . . 25.0 116.347 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.91 -21.33 24.68 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.415 -3.924 . . . . 25.0 113.686 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -77.45 -31.06 53.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.793 -0.818 . . . . 25.0 108.793 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -65.8 -35.67 81.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 173.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.79 -36.11 77.86 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.787 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 m -65.85 -40.76 92.03 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.952 -0.468 . . . . 25.0 109.919 174.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 56.0 ttp -62.21 -37.78 86.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.47 0.652 . . . . 25.0 109.964 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.6 tpt -66.34 -34.27 77.61 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.854 -0.529 . . . . 25.0 111.008 176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.51 86.92 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.724 -0.61 . . . . 25.0 109.901 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.441 HH12 ' CD ' ' A' ' 54' ' ' GLU . 96.1 mtt180 -70.29 -10.54 59.27 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.654 0.74 . . . . 25.0 112.382 176.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -80.86 -6.78 59.06 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.29 -0.881 . . . . 25.0 109.639 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.0 mtp -112.23 -14.37 13.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -166.68 163.95 16.73 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 105.314 -2.106 . . . . 25.0 105.314 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 60.56 -163.53 0.25 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.163 0.915 . . . . 25.0 109.511 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -163.71 172.11 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -77.76 106.68 9.74 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.783 -2.303 . . . . 25.0 104.783 171.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.0 p -94.57 -16.59 23.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.823 1.046 . . . . 25.0 113.823 -167.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.96 -28.5 67.7 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.609 0.966 . . . . 25.0 113.609 -173.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -61.72 -41.13 97.21 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.586 -0.696 . . . . 25.0 111.244 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -69.36 -35.55 75.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.634 -0.666 . . . . 25.0 109.61 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.71 -37.9 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -65.81 -40.48 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.0 -0.438 . . . . 25.0 110.932 177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -66.85 -37.25 84.11 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.288 -0.565 . . . . 25.0 110.667 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.27 86.98 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.976 -0.452 . . . . 25.0 110.584 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.88 -43.27 98.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 177.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.09 -17.61 64.61 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.34 -37.39 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.38 -38.63 13.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.132 -0.486 . . . . 25.0 110.1 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 54.42 2.74 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.438 1.113 . . . . 25.0 108.633 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -69.03 -8.93 49.66 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 114.547 1.314 . . . . 25.0 114.547 -174.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -91.91 -8.13 47.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.595 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.53 16.79 79.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 117.967 1.947 . . . . 25.0 117.967 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -89.37 1.39 55.87 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.38 1.622 . . . . 25.0 115.38 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.64 3.27 66.63 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.533 0.973 . . . . 25.0 115.533 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -139.06 141.19 38.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.152 0.476 . . . . 25.0 110.684 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -98.08 105.13 16.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.1 p -79.56 161.59 25.87 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.687 -0.633 . . . . 25.0 109.565 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -35.54 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.635 0.731 . . . . 25.0 109.569 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.48 87.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.267 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.14 -43.0 65.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.362 -0.211 . . . . 25.0 110.887 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.05 -47.68 83.65 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.468 -0.493 . . . . 25.0 109.999 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -24.53 65.58 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.745 -0.597 . . . . 25.0 111.704 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -68.26 -43.24 78.28 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 108.92 -0.77 . . . . 25.0 108.92 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.44 -44.33 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.855 -0.795 . . . . 25.0 108.855 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.2 mmt -60.4 -41.31 93.62 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -63.14 -38.25 90.45 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.968 -0.457 . . . . 25.0 110.574 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.12 -26.15 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.296 . . . . 25.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.0 mt -79.42 -20.39 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.701 0.401 . . . . 25.0 110.498 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.28 2.82 57.82 Favored Glycine 0 C--O 1.239 0.435 0 CA-C-N 116.077 -0.511 . . . . 25.0 112.389 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.58 150.8 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.231 0.539 . . . . 25.0 110.144 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -127.69 48.57 2.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.966 -0.561 . . . . 25.0 112.429 -172.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.32 156.36 39.6 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 174.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -85.59 163.22 18.48 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.333 -2.099 . . . . 25.0 105.333 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -64.39 -30.21 71.26 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -67.13 -37.28 83.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.603 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -65.79 -38.22 88.41 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.258 0.552 . . . . 25.0 109.7 176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -70.46 -38.56 74.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.004 0.431 . . . . 25.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.12 -43.1 95.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.076 0.465 . . . . 25.0 110.521 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 mtt -67.95 -34.48 76.66 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.44 -43.55 48.97 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.0 mtm105 -63.84 -29.78 70.94 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 115.75 1.759 . . . . 25.0 115.75 -172.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.17 -24.19 62.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.536 0.607 . . . . 25.0 110.606 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.01 -20.7 17.24 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.441 -0.345 . . . . 25.0 111.694 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -83.54 76.4 9.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.812 0.815 . . . . 25.0 111.509 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.39 -40.81 89.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.756 -1.111 . . . . 25.0 111.377 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -82.47 -13.13 57.22 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.98 79.86 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 117.65 1.82 . . . . 25.0 117.65 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.71 -0.91 52.8 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.768 1.396 . . . . 25.0 114.768 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.2 8.49 74.98 Favored Glycine 0 C--O 1.247 0.966 0 C-N-CA 121.504 -0.379 . . . . 25.0 113.741 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.92 164.98 27.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.21 0.528 . . . . 25.0 109.816 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.6 t -102.1 116.27 45.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.13 173.35 12.68 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.283 -1.747 . . . . 25.0 106.283 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.22 -44.51 97.15 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.622 -0.674 . . . . 25.0 112.736 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.3 -42.84 99.7 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.334 1.064 . . . . 25.0 110.904 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.31 -30.02 70.83 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.688 -1.142 . . . . 25.0 111.487 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -68.33 -34.92 76.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.816 -0.553 . . . . 25.0 110.657 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 83.1 t -68.65 -39.06 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -61.47 -42.15 98.34 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 122.076 -0.39 . . . . 25.0 109.97 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.1 ttt -67.48 -19.32 65.32 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.567 0.699 . . . . 25.0 112.322 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.1 ttm -83.13 -28.94 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.905 -0.497 . . . . 25.0 111.154 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.1 t -95.71 -16.04 22.24 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.809 0.67 . . . . 25.0 112.809 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.42 157.7 36.03 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 54.4 tttt . . . . . 0 C--O 1.239 0.539 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 172.407 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 120.575 0.226 . . . . 25.0 110.565 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -81.71 166.41 20.12 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 124.149 0.98 . . . . 25.0 110.606 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -93.84 139.38 30.94 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.402 0.62 . . . . 25.0 110.261 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.5 mp -84.27 147.07 27.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.506 -0.77 . . . . 25.0 111.896 -175.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.1 p -78.31 163.31 25.82 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.381 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.24 -33.04 71.72 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-O 121.375 0.607 . . . . 25.0 110.187 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.82 -43.36 93.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.072 -0.513 . . . . 25.0 112.105 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -67.73 -37.97 82.91 Favored 'General case' 0 C--O 1.21 -0.981 0 N-CA-C 110.184 -0.302 . . . . 25.0 110.184 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.26 -35.21 74.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -35.84 77.23 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.702 -0.623 . . . . 25.0 110.803 175.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.4 -48.93 65.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.502 1.144 . . . . 25.0 111.411 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -72.23 -21.94 61.32 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 114.695 1.369 . . . . 25.0 114.695 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -71.16 -22.74 62.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.067 0.849 . . . . 25.0 110.564 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -77.58 -44.71 27.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.66 -33.83 74.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.755 0.312 . . . . 25.0 110.307 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -67.05 -42.73 84.31 Favored 'General case' 0 C--O 1.209 -1.047 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -65.12 -17.91 64.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.108 0.41 . . . . 25.0 112.108 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.76 -25.26 53.23 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-O 121.987 0.898 . . . . 25.0 110.032 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -94.85 -42.75 8.53 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.047 -0.979 . . . . 25.0 111.998 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -74.33 104.78 5.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.516 0.674 . . . . 25.0 109.316 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -75.8 -19.29 59.07 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.998 1.111 . . . . 25.0 113.998 -172.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -115.08 -12.9 11.88 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.998 1.11 . . . . 25.0 113.998 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.53 12.73 82.63 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 117.604 1.801 . . . . 25.0 117.604 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -77.17 -8.05 56.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 114.657 1.355 . . . . 25.0 114.657 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 2.9 52.36 Favored Glycine 0 C--O 1.229 -0.204 0 N-CA-C 114.782 0.673 . . . . 25.0 114.782 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.8 p -134.57 157.2 47.17 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.02 0.438 . . . . 25.0 110.074 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.7 mt -115.01 115.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 105.621 -1.992 . . . . 25.0 105.621 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -86.01 166.09 16.16 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.2 t -61.53 -30.88 70.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.875 -0.516 . . . . 25.0 109.86 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.07 -44.15 89.9 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.403 0.62 . . . . 25.0 110.692 177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.6 -40.02 76.9 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.78 -45.69 93.4 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.52 -33.55 87.54 Favored Glycine 0 C--O 1.222 -0.616 0 CA-C-N 115.948 -0.569 . . . . 25.0 112.998 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.2 m -68.17 -42.53 79.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.881 -0.776 . . . . 25.0 110.362 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.31 -41.13 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.6 mmt -56.81 -47.47 80.18 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.422 0.289 . . . . 25.0 110.572 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -62.43 -35.93 80.78 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -67.54 -26.54 66.37 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.385 0.612 . . . . 25.0 111.276 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.35 -1.32 57.83 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.838 0.855 . . . . 25.0 110.953 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.31 5.71 75.55 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.196 -0.526 . . . . 25.0 113.916 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -92.38 146.21 23.87 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -133.79 70.42 75.28 Favored Pre-proline 0 N--CA 1.479 0.981 0 O-C-N 121.859 -0.525 . . . . 25.0 111.474 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.76 168.3 24.9 Favored 'Trans proline' 0 C--O 1.246 0.887 0 C-N-CA 120.511 0.808 . . . . 25.0 112.204 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -81.8 163.62 22.23 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.049 -1.463 . . . . 25.0 107.049 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -67.14 -28.11 67.87 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.187 -0.605 . . . . 25.0 110.646 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.16 78.41 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -65.21 -38.22 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 122.558 1.171 . . . . 25.0 109.239 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.79 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.524 -0.735 . . . . 25.0 109.404 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -67.88 -44.03 77.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.52 -0.752 . . . . 25.0 111.957 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.18 -32.27 72.39 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.578 1.081 . . . . 25.0 109.949 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.5 mtt -69.73 -24.88 63.62 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mm -77.25 -52.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.575 -1.269 . . . . 25.0 107.575 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.97 -27.83 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.41 0.684 . . . . 25.0 112.459 -174.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.1 -32.61 55.39 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.3 m -119.5 -12.02 10.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.6 49.07 0.98 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.928 0.891 . . . . 25.0 110.697 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.17 58.75 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.441 -0.787 . . . . 25.0 112.09 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -85.21 -6.36 59.28 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.523 -0.308 . . . . 25.0 111.021 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.45 19.96 71.22 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 116.109 1.204 . . . . 25.0 116.109 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.46 -3.69 59.0 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.692 1.367 . . . . 25.0 114.692 -176.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.72 0.09 76.01 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 116.945 1.538 . . . . 25.0 116.945 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -142.93 151.87 41.43 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.426 1.113 . . . . 25.0 113.045 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.6 mt -81.93 111.88 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 106.24 -1.763 . . . . 25.0 106.24 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -87.73 172.43 9.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.147 -1.056 . . . . 25.0 108.147 -177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -54.25 -49.34 90.9 Favored Pre-proline 0 CA--C 1.565 1.552 0 N-CA-C 115.435 1.643 . . . . 25.0 115.435 175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.45 -23.18 32.48 Favored 'Trans proline' 0 C--N 1.356 0.944 1 C-N-CA 112.801 -4.333 . . . . 25.0 114.311 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -75.51 -33.05 60.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.23 0.538 . . . . 25.0 110.214 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.85 -37.98 85.5 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.393 -0.817 . . . . 25.0 109.126 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.35 -40.51 96.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.305 -0.861 . . . . 25.0 109.295 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -65.87 -37.32 85.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.748 -0.595 . . . . 25.0 111.034 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.1 ttm -60.13 -42.96 95.9 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 mmt -67.73 -38.87 84.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.708 -0.224 . . . . 25.0 111.05 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.38 72.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -63.98 -14.99 58.21 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -112.32 -7.54 13.98 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 95.7 mmm -125.76 20.9 7.74 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.26 0.552 . . . . 25.0 110.978 -176.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 144.2 57.43 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 114.428 1.27 . . . . 25.0 114.428 -174.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -83.14 -44.54 14.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.274 -1.75 . . . . 25.0 106.274 167.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.4 m -152.13 149.92 29.32 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.47 176.42 10.62 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.0 p -87.44 -7.33 57.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 115.513 1.672 . . . . 25.0 115.513 -170.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -57.78 -34.61 69.77 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.184 0.516 . . . . 25.0 112.255 -175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -67.64 -30.63 70.24 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 121.663 -0.648 . . . . 25.0 112.133 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -73.13 -38.55 66.24 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.165 0.507 . . . . 25.0 109.684 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.24 -41.91 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -61.22 -41.33 96.66 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.58 -0.7 . . . . 25.0 112.484 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -64.77 -47.65 77.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.25 -0.58 . . . . 25.0 109.984 178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.82 95.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.175 0.297 . . . . 25.0 111.536 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.5 -42.32 99.42 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 121.319 0.581 . . . . 25.0 110.205 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 mtm105 -70.8 -11.23 60.83 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.305 1.224 . . . . 25.0 114.305 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.1 t -68.48 -43.24 83.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 172.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -84.41 -45.93 12.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.886 -0.597 . . . . 25.0 111.502 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -80.12 62.28 4.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.211 1.005 . . . . 25.0 109.594 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -70.62 -22.05 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.372 -0.831 . . . . 25.0 113.1 -173.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -88.51 -9.41 52.48 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.852 0.358 . . . . 25.0 110.832 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.55 31.38 70.88 Favored Glycine 0 C--O 1.229 -0.178 0 N-CA-C 116.875 1.51 . . . . 25.0 116.875 173.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -92.45 2.76 56.48 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.24 2.65 73.65 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 115.477 0.951 . . . . 25.0 115.477 175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -138.94 158.09 44.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.322 -0.517 . . . . 25.0 111.428 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.7 mt -115.99 114.34 45.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 105.857 -1.905 . . . . 25.0 105.857 171.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.56 163.96 20.07 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.85 70.84 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.747 0.784 . . . . 25.0 110.115 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.44 84.91 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.507 -0.77 . . . . 25.0 110.53 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -69.34 -40.13 77.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.14 -0.35 . . . . 25.0 110.237 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -45.21 91.53 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -63.03 -35.5 80.43 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 116.658 -0.246 . . . . 25.0 110.895 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -60.73 -49.81 75.98 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.96 -45.82 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.361 -0.382 . . . . 25.0 110.696 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.9 mtt -61.52 -40.52 94.93 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.428 0.899 . . . . 25.0 113.428 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 42.3 m -62.79 -38.7 91.68 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 120.064 -0.654 . . . . 25.0 110.407 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.87 -28.03 63.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.48 -21.81 52.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.393 -0.367 . . . . 25.0 110.248 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.79 24.36 35.78 Favored Glycine 0 C--O 1.248 0.986 0 O-C-N 123.732 0.645 . . . . 25.0 111.732 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.21 159.24 31.55 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.776 0.798 . . . . 25.0 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -131.51 88.12 2.54 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -124.8 158.54 33.11 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 103.137 -2.912 . . . . 25.0 103.137 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -83.11 166.36 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.515 -1.661 . . . . 25.0 106.515 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.13 -33.25 74.13 Favored 'General case' 0 C--O 1.208 -1.131 0 O-C-N 121.676 -0.64 . . . . 25.0 110.47 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.89 -35.38 69.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.778 0.323 . . . . 25.0 111.324 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -66.67 -39.57 88.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.136 0.493 . . . . 25.0 110.311 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -68.4 -35.13 69.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 O-C-N 121.321 -0.862 . . . . 25.0 110.404 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -65.09 -41.35 95.09 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.35 -46.28 89.39 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 123.235 0.614 . . . . 25.0 111.357 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtp -61.08 -38.28 85.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.309 0.576 . . . . 25.0 111.464 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -72.98 -41.44 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -64.43 -35.19 80.11 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.739 1.014 . . . . 25.0 113.739 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -74.24 -14.28 60.9 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.816 0.734 . . . . 25.0 110.977 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.78 -28.67 13.03 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.64 -0.255 . . . . 25.0 111.469 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -80.38 76.92 7.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.591 0.71 . . . . 25.0 111.929 -175.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.1 mt -63.9 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 123.943 0.897 . . . . 25.0 111.205 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.68 -10.23 57.5 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 114.21 1.189 . . . . 25.0 114.21 -176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.05 16.54 79.66 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 118.049 1.98 . . . . 25.0 118.049 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.07 -4.84 59.05 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.56 6.24 68.28 Favored Glycine 0 C--O 1.249 1.091 0 O-C-N 121.316 -0.865 . . . . 25.0 113.53 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.84 164.38 27.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 121.48 0.657 . . . . 25.0 109.883 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 51.3 t -101.66 115.18 42.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -74.98 174.09 9.79 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 107.73 -1.211 . . . . 25.0 107.73 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.09 -46.86 88.9 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 121.03 -1.044 . . . . 25.0 112.246 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.77 -38.29 90.48 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 121.93 0.871 . . . . 25.0 110.917 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.29 -26.67 64.85 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.544 -0.753 . . . . 25.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -67.76 -28.95 68.06 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.618 -0.677 . . . . 25.0 110.315 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.62 -39.85 70.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -62.47 -41.87 99.08 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.805 -0.442 . . . . 25.0 109.805 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 25.5 ttp -68.94 -19.15 64.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.033 0.444 . . . . 25.0 111.522 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 ttm -82.31 -22.98 35.4 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.832 -0.543 . . . . 25.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.4 t -98.27 -10.23 24.27 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.96 174.0 10.52 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 106.272 -1.751 . . . . 25.0 106.272 167.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.7 tttp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.565 -1.683 . . . . 25.0 112.588 -172.123 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -77.07 -21.84 53.78 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.643 0.735 . . . . 25.0 109.207 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -123.81 165.96 16.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.105 -1.443 . . . . 25.0 107.105 174.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.64 142.96 54.96 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 p -82.45 164.45 20.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 173.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.99 -30.58 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -63.38 -38.99 93.29 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 121.326 0.584 . . . . 25.0 111.006 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -71.95 -34.88 69.35 Favored 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 121.806 -0.559 . . . . 25.0 111.483 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.78 -36.81 78.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.34 -41.12 85.73 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 110.244 -0.28 . . . . 25.0 110.244 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.38 -37.72 84.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.1 0.476 . . . . 25.0 110.805 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -69.54 -26.52 64.54 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.335 -0.853 . . . . 25.0 110.678 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.51 -36.74 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.75 -39.57 76.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.123 -0.631 . . . . 25.0 109.712 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.002 0.43 . . . . 25.0 110.683 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.06 -45.38 81.55 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.2 t -62.63 -33.9 75.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.676 0.75 . . . . 25.0 110.349 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -65.03 -24.21 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.69 -35.57 14.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.98 -0.45 . . . . 25.0 110.082 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -79.77 84.27 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.107 0.956 . . . . 25.0 110.851 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -68.27 -21.42 64.81 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 114.442 1.275 . . . . 25.0 114.442 -172.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -104.57 -9.61 18.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.45 14.01 82.62 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 116.916 1.526 . . . . 25.0 116.916 173.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -82.5 -1.23 49.8 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 6.65 68.82 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.838 0.695 . . . . 25.0 114.838 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.0 p -134.55 154.6 51.38 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 117.705 0.753 . . . . 25.0 110.677 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.3 mt -113.49 123.31 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -97.67 167.2 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.3 t -58.71 -33.46 70.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.633 0.73 . . . . 25.0 110.989 176.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -68.0 -38.46 82.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.822 -0.626 . . . . 25.0 111.02 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.66 -37.48 70.78 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.62 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.68 -41.92 99.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.81 -34.0 88.75 Favored Glycine 0 C--O 1.227 -0.324 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.429 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.7 m -65.04 -41.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.988 -0.713 . . . . 25.0 109.755 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.53 -42.58 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.687 -0.486 . . . . 25.0 109.687 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mtt -63.46 -38.41 91.03 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.93 -0.481 . . . . 25.0 111.492 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -72.65 -24.14 61.0 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.941 -0.474 . . . . 25.0 112.028 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -70.52 -30.22 66.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.6 mt -82.09 -4.74 57.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.679 -0.691 . . . . 25.0 110.368 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.57 4.01 70.85 Favored Glycine 0 N--CA 1.458 0.146 0 N-CA-C 115.136 0.814 . . . . 25.0 115.136 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -77.13 159.58 29.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.142 -0.622 . . . . 25.0 111.873 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -131.84 70.68 80.9 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 122.5 0.32 . . . . 25.0 110.987 174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.72 167.46 26.31 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 118.458 -0.561 . . . . 25.0 111.184 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -87.34 162.67 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.722 -1.585 . . . . 25.0 106.722 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.87 -30.04 70.58 Favored 'General case' 0 C--O 1.211 -0.952 0 C-N-CA 120.08 -0.648 . . . . 25.0 109.443 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.39 89.97 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.426 -0.171 . . . . 25.0 111.254 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.09 -42.91 88.69 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.832 0.825 . . . . 25.0 108.998 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.56 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.764 -0.585 . . . . 25.0 109.804 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.94 -41.87 77.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.603 -0.713 . . . . 25.0 112.353 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -31.51 66.93 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.992 1.269 . . . . 25.0 109.825 -178.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -64.7 -24.94 67.73 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.914 -0.314 . . . . 25.0 111.384 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 mm -81.4 -50.12 17.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.85 -32.11 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.328 0.651 . . . . 25.0 112.634 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.51 -22.72 56.06 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.23 0.538 . . . . 25.0 112.408 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 t -115.87 -32.05 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.198 0.523 . . . . 25.0 111.364 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -79.37 59.63 2.93 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 123.704 0.802 . . . . 25.0 112.74 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -23.39 66.54 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.788 -0.642 . . . . 25.0 111.107 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -78.99 -16.93 56.24 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.002 0.371 . . . . 25.0 112.002 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.58 13.06 83.31 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 117.397 1.719 . . . . 25.0 117.397 173.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -80.18 -0.34 35.73 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.503 1.652 . . . . 25.0 114.323 -176.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.66 1.56 82.93 Favored Glycine 0 C--O 1.244 0.728 0 N-CA-C 115.4 0.92 . . . . 25.0 115.4 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -133.9 160.49 37.52 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.7 mt -104.63 107.82 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 105.095 -2.187 . . . . 25.0 105.095 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -88.26 -179.47 6.14 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.89 -46.98 99.44 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 116.287 1.958 . . . . 25.0 116.287 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.62 -21.35 25.69 Favored 'Trans proline' 0 C--N 1.354 0.868 1 C-N-CA 112.957 -4.229 . . . . 25.0 113.307 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -67.24 -37.83 84.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -39.48 94.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 175.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.9 m -67.39 -37.74 83.59 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.178 0.513 . . . . 25.0 111.135 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.1 ttp -63.53 -39.35 94.18 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.255 -0.903 . . . . 25.0 109.926 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.1 mmt -69.94 -35.57 74.62 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.52 97.81 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 121.453 -0.099 . . . . 25.0 111.053 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 ptt85 -72.93 -8.79 57.28 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.9 -28.76 44.03 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 171.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.6 mmt -101.18 34.67 2.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.664 -0.698 . . . . 25.0 109.648 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -67.55 138.51 56.54 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -63.83 158.1 22.84 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -66.68 161.71 22.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.545 0.688 . . . . 25.0 111.798 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.26 157.93 36.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.628 -0.715 . . . . 25.0 109.915 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.6 p -98.42 174.51 6.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.642 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.87 -20.54 37.36 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.859 -0.61 . . . . 25.0 111.82 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.52 -39.41 94.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.068 0.395 . . . . 25.0 112.068 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.03 -45.97 72.49 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.74 -38.3 81.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.616 -1.174 . . . . 25.0 108.671 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -67.21 -34.42 77.45 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.63 -44.28 96.67 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 118.664 0.666 . . . . 25.0 109.658 176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.92 87.88 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.358 0.599 . . . . 25.0 110.423 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.37 -41.6 98.75 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.143 -0.481 . . . . 25.0 110.158 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.74 -19.14 65.78 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.79 -39.55 86.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -98.24 -36.9 9.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -80.54 78.37 7.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.75 0.786 . . . . 25.0 109.773 177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -70.44 -24.03 62.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.259 -0.882 . . . . 25.0 111.141 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -70.91 -26.4 63.2 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.185 0.517 . . . . 25.0 110.635 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.06 20.95 76.79 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.881 -173.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -94.25 1.46 55.98 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 115.309 1.596 . . . . 25.0 115.309 -172.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.25 0.92 62.95 Favored Glycine 0 N--CA 1.458 0.159 0 N-CA-C 115.926 1.131 . . . . 25.0 115.926 176.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -133.93 145.71 49.84 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.222 0.511 . . . . 25.0 109.932 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -105.78 126.37 61.14 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 105.01 -2.219 . . . . 25.0 105.01 172.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.8 p -110.34 168.13 9.68 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.533 -0.729 . . . . 25.0 110.777 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.42 76.92 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.218 0.532 . . . . 25.0 110.573 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.39 70.12 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.803 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -86.76 -38.67 16.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.558 -0.292 . . . . 25.0 111.102 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.17 -40.94 97.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -24.75 63.79 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 120.308 -0.557 . . . . 25.0 110.878 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -68.88 -43.29 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.27 -42.64 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.999 -0.546 . . . . 25.0 109.612 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -62.09 -41.94 98.7 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.52 0.193 . . . . 25.0 111.52 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.6 m -62.6 -38.8 91.55 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.689 -0.632 . . . . 25.0 110.395 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -72.67 -23.53 60.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.769 0.285 . . . . 25.0 111.769 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.02 -19.33 58.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.913 0.387 . . . . 25.0 110.072 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.46 -11.63 36.16 Favored Glycine 0 CA--C 1.511 -0.159 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.652 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -69.46 152.94 44.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.232 0.539 . . . . 25.0 111.274 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -136.56 61.15 1.64 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.348 0.594 . . . . 25.0 111.901 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.4 163.29 27.11 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -82.71 161.7 22.02 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 105.808 -1.923 . . . . 25.0 105.808 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.49 -30.74 71.81 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 121.736 -0.602 . . . . 25.0 109.944 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -68.08 -36.42 79.79 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.191 0.52 . . . . 25.0 111.585 178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.7 -36.33 83.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.695 0.76 . . . . 25.0 108.986 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -75.73 -32.5 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.851 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -64.07 -40.45 96.29 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.13 -38.75 87.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.527 -0.306 . . . . 25.0 111.681 173.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.5 mtt -67.1 -29.91 69.79 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.869 0.366 . . . . 25.0 111.602 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.3 mm -78.91 -39.19 21.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -58.68 -33.09 69.76 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 115.2 1.556 . . . . 25.0 115.2 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -68.96 -18.72 64.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 119.108 -1.037 . . . . 25.0 111.224 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.65 -7.96 15.54 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -88.65 77.93 7.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.922 0.868 . . . . 25.0 110.619 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.29 -42.5 93.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.181 -0.918 . . . . 25.0 112.374 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.51 -4.55 57.87 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.109 1.152 . . . . 25.0 114.109 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.79 24.25 72.73 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 115.661 1.024 . . . . 25.0 115.661 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -85.07 1.34 48.19 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.684 1.242 . . . . 25.0 113.456 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.35 8.95 84.41 Favored Glycine 0 C--O 1.244 0.767 0 CA-C-O 121.71 0.616 . . . . 25.0 113.601 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -139.7 164.44 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 25.0 110.603 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.97 116.02 42.34 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 104.966 -2.235 . . . . 25.0 104.966 170.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -87.19 171.75 10.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 106.713 -1.588 . . . . 25.0 106.713 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -59.5 -44.31 93.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -41.16 93.49 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.634 -0.666 . . . . 25.0 110.932 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.18 -33.81 76.29 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.099 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -35.86 81.32 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.921 -0.487 . . . . 25.0 110.796 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.25 -39.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 175.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -39.07 93.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.018 -0.426 . . . . 25.0 110.501 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttt -69.06 -17.08 63.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.615 0.766 . . . . 25.0 111.595 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.9 ttm -83.7 -25.24 30.81 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.878 -0.514 . . . . 25.0 111.698 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.1 t -111.2 -11.66 14.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.812 0.671 . . . . 25.0 112.812 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -156.93 -160.89 1.01 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 104.899 -2.26 . . . . 25.0 104.899 -177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 C--O 1.257 1.49 0 N-CA-C 103.705 -2.702 . . . . 25.0 103.705 171.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -75.12 165.18 25.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.765 -1.939 . . . . 25.0 105.765 173.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -131.81 144.48 50.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.935 -0.478 . . . . 25.0 111.221 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.98 140.67 58.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.509 -0.769 . . . . 25.0 109.944 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 p -105.05 160.04 15.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.242 -1.021 . . . . 25.0 108.242 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.57 -26.54 66.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.238 0.542 . . . . 25.0 110.608 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -64.03 -44.59 92.08 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.404 0.621 . . . . 25.0 109.844 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.38 -39.14 91.9 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 116.112 -0.495 . . . . 25.0 110.336 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.5 -38.61 80.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.58 84.11 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.829 -0.545 . . . . 25.0 110.901 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.11 -41.18 95.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.23 0.538 . . . . 25.0 110.39 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -70.54 -21.47 62.71 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 121.948 -0.47 . . . . 25.0 111.161 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -69.25 -40.22 77.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.564 -0.71 . . . . 25.0 109.324 174.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -67.21 -42.6 83.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.98 74.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.157 -0.474 . . . . 25.0 111.321 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -62.53 -45.36 93.31 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 122.278 -0.264 . . . . 25.0 110.621 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -71.05 -15.67 62.55 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.422 0.629 . . . . 25.0 112.618 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -32.83 71.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 174.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.54 -44.47 9.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 25.0 111.52 175.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -78.81 93.32 4.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.772 0.796 . . . . 25.0 109.938 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -78.74 -24.21 44.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.547 -0.751 . . . . 25.0 110.901 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.73 -37.18 67.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.052 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.7 19.82 65.03 Favored Glycine 0 C--O 1.223 -0.545 0 CA-C-N 115.806 -0.634 . . . . 25.0 112.434 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.97 -13.58 38.58 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.4 6.35 41.68 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 114.917 0.727 . . . . 25.0 114.917 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -133.97 155.8 49.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.436 0.618 . . . . 25.0 110.527 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mt -119.71 129.38 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 176.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -114.32 173.77 6.28 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -55.95 -36.75 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.093 0.406 . . . . 25.0 111.99 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -59.76 -40.59 88.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.308 0.575 . . . . 25.0 111.028 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.17 -43.31 24.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.742 -0.663 . . . . 25.0 111.982 -177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -44.88 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.29 -34.63 90.44 Favored Glycine 0 C--O 1.216 -0.988 0 CA-C-N 115.688 -0.687 . . . . 25.0 113.031 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -61.22 -44.16 97.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.386 1.093 . . . . 25.0 109.441 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.81 -41.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.769 -0.372 . . . . 25.0 110.964 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmt -64.97 -36.49 84.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.683 -0.636 . . . . 25.0 111.856 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -73.48 -23.88 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.632 -0.667 . . . . 25.0 110.858 177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -20.63 61.44 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.068 0.461 . . . . 25.0 109.778 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.92 7.49 39.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 25.0 110.123 176.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 4.2 88.06 Favored Glycine 0 C--O 1.23 -0.113 0 N-CA-C 114.561 0.584 . . . . 25.0 114.561 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -82.04 161.59 22.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -133.5 64.07 67.17 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 121.941 -0.475 . . . . 25.0 111.824 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.21 169.02 23.42 Favored 'Trans proline' 0 C--N 1.351 0.676 0 O-C-N 121.867 0.404 . . . . 25.0 112.79 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.1 p -95.22 160.5 14.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -71.29 -24.46 62.15 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.476 -0.765 . . . . 25.0 111.224 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.82 -39.02 64.37 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 121.234 0.54 . . . . 25.0 109.995 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.63 -44.04 97.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.16 -0.927 . . . . 25.0 109.144 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.72 -33.37 75.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.992 -0.549 . . . . 25.0 110.318 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -69.84 -40.53 75.76 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.925 0.713 . . . . 25.0 112.925 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -70.1 -31.46 69.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.88 1.218 . . . . 25.0 110.552 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 67.6 mtt -66.7 -28.08 68.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.276 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -78.48 -43.13 26.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.2 -32.97 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.4 0.28 . . . . 25.0 111.235 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.31 -25.38 61.83 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.364 0.876 . . . . 25.0 113.364 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.28 -9.88 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -86.31 56.67 4.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.861 0.839 . . . . 25.0 110.853 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -20.53 63.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -89.09 -8.07 54.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.379 0.511 . . . . 25.0 112.379 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.14 16.41 70.87 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 116.15 1.22 . . . . 25.0 116.15 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.97 -1.84 55.42 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.074 1.437 . . . . 25.0 114.139 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.24 -3.17 85.56 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 116.776 1.471 . . . . 25.0 116.776 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -136.7 160.45 38.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 118.088 0.944 . . . . 25.0 111.015 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.0 mt -88.45 115.39 28.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -92.04 172.47 8.42 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -54.14 -45.9 98.96 Favored Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 117.296 2.332 . . . . 25.0 117.296 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -71.32 -22.96 24.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 113.335 -3.976 . . . . 25.0 113.484 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.61 -31.53 57.49 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.51 -37.3 84.75 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.88 -39.71 92.86 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 m -69.31 -39.5 78.23 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.135 0.493 . . . . 25.0 111.047 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.5 ttp -62.11 -40.14 94.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.356 0.598 . . . . 25.0 109.487 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm -73.91 -31.2 62.98 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 116.46 -0.336 . . . . 25.0 110.856 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.31 96.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.293 0.497 . . . . 25.0 111.964 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -68.76 -28.21 66.6 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 119.213 -0.995 . . . . 25.0 110.895 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -72.74 -28.85 62.88 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.616 -0.677 . . . . 25.0 109.74 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 97.5 mmm -90.63 20.65 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.088 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.8 pttt 47.58 33.18 2.8 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.021 1.86 . . . . 25.0 116.021 179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -114.43 47.0 1.28 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.367 0.877 . . . . 25.0 113.367 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.0 p -138.04 162.72 33.41 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.27 -38.84 77.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -176.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.4 p -69.02 -25.04 64.29 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.57 0.7 . . . . 25.0 111.339 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -87.21 -18.32 30.58 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.869 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 86' ' ' ARG . 22.4 tt0 -62.83 -35.21 79.17 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -173.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.69 -39.05 93.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.979 0.895 . . . . 25.0 109.726 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.08 -37.0 58.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HB2' ' HA ' ' A' ' 83' ' ' GLU . 6.0 ttt180 -56.31 -44.65 80.12 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.388 0.675 . . . . 25.0 109.613 175.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -47.15 79.16 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.024 -0.271 . . . . 25.0 110.773 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.57 83.24 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.186 0.517 . . . . 25.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.51 -42.44 82.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -66.51 -15.83 63.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -60.6 -39.09 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -103.29 -35.63 8.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -81.91 69.45 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.699 -0.852 . . . . 25.0 108.699 175.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -64.95 -30.24 71.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.051 1.13 . . . . 25.0 114.051 -170.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -91.56 -2.39 57.16 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.92 12.54 68.19 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 116.463 1.345 . . . . 25.0 116.463 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.94 2.03 15.94 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.09 -0.92 73.06 Favored Glycine 0 CA--C 1.516 0.129 0 N-CA-C 115.422 0.929 . . . . 25.0 115.422 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -133.68 139.2 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.074 -0.343 . . . . 25.0 110.074 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -97.54 114.9 35.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.249 -1.76 . . . . 25.0 106.249 172.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.6 p -88.85 162.16 16.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.85 76.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.92 0.39 . . . . 25.0 110.787 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.13 95.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.894 0.378 . . . . 25.0 110.682 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -68.43 -42.05 79.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.351 -0.386 . . . . 25.0 111.0 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.75 -48.57 80.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -61.44 -34.82 76.04 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -59.73 -49.33 78.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.236 0.541 . . . . 25.0 110.214 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.34 -42.62 96.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.342 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.2 mtp -64.45 -37.31 87.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 m -62.17 -37.39 85.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.997 0.427 . . . . 25.0 110.041 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -72.3 -23.83 61.24 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.829 -0.544 . . . . 25.0 110.752 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.16 -13.43 59.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.869 0.366 . . . . 25.0 110.036 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.17 -7.11 51.55 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-N 116.181 -0.463 . . . . 25.0 113.184 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.75 151.26 43.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.113 0.483 . . . . 25.0 111.303 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.81 53.32 2.01 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.087 0.47 . . . . 25.0 111.849 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.14 159.41 34.72 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.282 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.1 p -85.31 171.02 12.22 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.06 -37.07 81.35 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -73.23 -35.2 66.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.823 -0.626 . . . . 25.0 112.152 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -66.82 -36.96 83.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.3 t -72.11 -35.57 53.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -62.25 -41.32 98.34 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.75 -33.02 74.73 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.321 -0.552 . . . . 25.0 111.562 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 85.6 mtp -68.58 -23.73 64.52 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.8 mm -82.07 -40.16 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -58.52 -32.46 68.87 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.179 1.177 . . . . 25.0 114.179 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -69.01 -10.89 59.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 111.901 0.334 . . . . 25.0 111.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -121.3 -25.3 5.26 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -77.61 83.42 4.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 -172.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.7 mt -68.14 -43.95 84.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.213 -0.903 . . . . 25.0 110.672 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -81.9 -13.31 57.74 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.95 16.88 78.2 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 116.789 1.476 . . . . 25.0 116.789 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -83.44 -0.13 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.21 9.87 79.04 Favored Glycine 0 C--O 1.239 0.415 0 C-N-CA 121.412 -0.423 . . . . 25.0 113.496 177.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -137.39 166.83 22.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -105.39 116.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -81.3 170.57 15.88 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.646 -1.612 . . . . 25.0 106.646 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -59.96 -48.19 82.73 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -66.15 -36.01 81.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.454 0.645 . . . . 25.0 111.885 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.76 -36.32 83.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.311 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.41 -37.86 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.255 -0.278 . . . . 25.0 110.285 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.64 -42.17 94.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.28 -44.02 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.961 -0.462 . . . . 25.0 111.925 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.7 ptm -65.98 -18.82 65.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.105 0.479 . . . . 25.0 111.727 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 53.0 ttm -75.46 -27.72 59.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.686 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.0 t -111.98 -17.07 12.96 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.824 1.416 . . . . 25.0 114.824 -175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -148.97 140.73 23.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.423 0.556 . . . . 25.0 110.443 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.8 mttt . . . . . 0 C--O 1.256 1.425 0 N-CA-C 103.262 -2.866 . . . . 25.0 103.262 176.639 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 110.577 -0.157 . . . . 25.0 110.577 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.32 162.45 9.9 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.914 -0.773 . . . . 25.0 108.914 170.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -74.71 142.41 44.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.229 0.538 . . . . 25.0 110.556 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.95 139.45 58.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.132 1.16 . . . . 25.0 114.132 -174.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.8 p -125.42 167.21 15.28 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.086 -2.19 . . . . 25.0 105.086 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.5 -29.11 70.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.455 0.57 . . . . 25.0 110.847 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -64.14 -43.43 95.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.485 0.66 . . . . 25.0 110.748 176.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -67.61 -38.1 83.47 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 120.988 0.423 . . . . 25.0 110.285 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.98 -36.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.87 -0.789 . . . . 25.0 108.87 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.09 85.9 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.835 -0.541 . . . . 25.0 110.32 175.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -61.03 -41.78 97.22 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.423 0.63 . . . . 25.0 110.396 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -67.18 -29.35 69.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.752 -0.593 . . . . 25.0 110.526 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -71.32 -38.08 71.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.197 -0.314 . . . . 25.0 110.445 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.52 -41.1 80.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.462 -0.57 . . . . 25.0 109.462 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.5 81.31 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.985 0.421 . . . . 25.0 110.689 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.26 -43.21 92.01 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 109.485 -0.561 . . . . 25.0 109.485 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -67.82 -15.31 63.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.651 0.262 . . . . 25.0 111.648 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -85.95 -26.49 25.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.659 0.742 . . . . 25.0 109.65 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -83.45 -40.24 19.53 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -72.32 111.57 7.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -82.15 -17.36 46.61 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -173.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.17 -24.87 17.35 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.186 -0.916 . . . . 25.0 110.34 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.94 15.11 81.94 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.934 -0.575 . . . . 25.0 114.35 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -82.77 -22.11 34.39 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.882 1.438 . . . . 25.0 114.882 -174.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.18 -1.44 14.55 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.4 p -133.25 151.44 51.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 117.479 0.64 . . . . 25.0 111.976 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -110.89 127.63 67.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.166 -1.79 . . . . 25.0 106.166 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -112.02 172.17 7.06 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 110.14 -0.319 . . . . 25.0 110.14 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.14 -40.24 67.22 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 -176.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -62.54 -38.74 91.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.134 0.492 . . . . 25.0 111.801 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.17 -44.22 60.28 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.044 0.45 . . . . 25.0 110.677 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.91 -41.06 99.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.69 -33.96 88.64 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.663 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -63.0 -45.29 93.1 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -67.36 -45.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.737 0.303 . . . . 25.0 110.435 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mmm -60.47 -44.68 95.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.019 0.438 . . . . 25.0 112.023 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -70.29 -31.67 69.11 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.534 -0.729 . . . . 25.0 111.043 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -63.98 -34.78 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.09 8.01 11.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.216 -0.447 . . . . 25.0 111.963 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.12 10.98 84.28 Favored Glycine 0 C--O 1.225 -0.433 0 N-CA-C 114.874 0.71 . . . . 25.0 114.874 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -77.62 -3.2 39.69 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 117.764 0.782 . . . . 25.0 111.742 -176.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 31.72 51.72 0.63 Allowed Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 118.186 2.661 . . . . 25.0 118.186 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -82.0 164.84 17.56 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 115.817 -2.322 . . . . 25.0 114.574 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.6 p -96.07 165.46 12.24 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 171.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -69.66 -18.99 63.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.97 -40.67 60.6 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 110.474 -0.195 . . . . 25.0 110.474 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.21 -40.53 94.27 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.344 1.069 . . . . 25.0 109.029 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.68 -28.05 69.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.289 -0.868 . . . . 25.0 110.607 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -72.53 -47.24 49.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 119.296 -0.383 . . . . 25.0 111.489 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.84 -31.98 70.14 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 119.586 -0.846 . . . . 25.0 111.829 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.6 mtm -66.98 -27.07 67.14 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.101 -0.375 . . . . 25.0 111.642 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -79.85 -42.19 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.106 -0.702 . . . . 25.0 109.106 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.99 -31.48 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 117.848 0.295 . . . . 25.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.04 -17.05 56.13 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 t -118.56 -25.26 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 120.896 0.379 . . . . 25.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.14 53.94 1.02 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.437 1.273 . . . . 25.0 114.437 -175.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.8 -14.01 62.17 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.063 0.458 . . . . 25.0 112.172 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -85.78 -16.34 39.14 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 123.601 0.76 . . . . 25.0 111.822 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.13 88.78 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 117.86 1.904 . . . . 25.0 117.86 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -1.12 35.08 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.495 1.647 . . . . 25.0 114.909 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.1 -0.49 87.35 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 117.228 1.651 . . . . 25.0 117.228 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.7 p -138.79 168.35 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.791 0.795 . . . . 25.0 111.182 -176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -103.14 103.23 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.16 171.03 14.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -53.5 -49.64 87.46 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 114.779 1.4 . . . . 25.0 114.779 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.74 -24.94 54.13 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 114.385 -3.277 . . . . 25.0 114.428 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -78.72 -27.0 44.81 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.817 -0.552 . . . . 25.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -67.94 -38.03 82.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 174.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.37 -40.9 94.14 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.921 174.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -65.02 -36.97 86.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.012 0.434 . . . . 25.0 110.884 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.9 ttp -63.86 -44.7 92.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.0 mtm -70.5 -28.48 65.0 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.942 -0.303 . . . . 25.0 111.414 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.66 -21.44 64.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.81 0.338 . . . . 25.0 111.269 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -66.69 -25.8 66.72 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.734 -0.604 . . . . 25.0 111.258 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -93.96 -7.6 42.45 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 123.069 0.231 . . . . 25.0 111.521 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.6 mtp -84.77 7.42 20.73 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.429 0.633 . . . . 25.0 110.076 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.32 -171.36 2.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -74.82 57.35 0.77 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.104 0.562 . . . . 25.0 111.56 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.4 p -137.63 156.69 47.77 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.611 0.764 . . . . 25.0 108.971 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -63.31 143.85 57.45 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.4 p -148.75 163.16 38.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.21 -17.96 65.06 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.241 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -64.73 -40.6 95.6 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.082 -0.963 . . . . 25.0 111.84 -174.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -30.12 69.22 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.175 -0.61 . . . . 25.0 110.252 -176.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.91 -42.8 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -66.83 -40.6 88.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 25.0 111.67 177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -39.49 85.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.51 91.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.52 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -69.26 -15.06 63.28 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.62 -42.46 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 172.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -78.43 -47.17 18.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.147 0.499 . . . . 25.0 109.958 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -84.39 65.42 8.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.014 0.912 . . . . 25.0 109.253 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -66.75 -20.19 65.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -91.44 -4.09 55.97 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.989 0.737 . . . . 25.0 112.989 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.33 23.11 76.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 117.874 1.909 . . . . 25.0 117.874 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.0 -25.95 65.66 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.183 1.491 . . . . 25.0 113.482 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.46 3.61 69.0 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.477 -1.449 . . . . 25.0 109.477 -167.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -142.74 134.49 26.77 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.478 0.711 . . . . 25.0 111.193 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.8 mt -95.83 133.38 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.5 p -109.74 168.58 9.31 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.238 -0.282 . . . . 25.0 110.238 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.69 79.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.945 0.402 . . . . 25.0 111.532 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.02 71.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.262 0.553 . . . . 25.0 111.504 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -83.46 -42.76 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.083 -0.508 . . . . 25.0 110.619 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.19 -44.06 97.44 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.191 -0.3 . . . . 25.0 110.191 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.03 66.33 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 121.73 -0.606 . . . . 25.0 111.59 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -68.07 -42.85 79.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.05 -45.4 94.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.2 mtt -62.47 -35.04 78.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.202 0.815 . . . . 25.0 113.202 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.7 m -59.01 -41.23 87.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.66 -25.56 60.33 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.803 0.297 . . . . 25.0 111.803 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -74.32 -19.95 60.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.47 14.03 24.82 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.124 -0.489 . . . . 25.0 114.07 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -74.59 163.07 28.15 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.86 37.75 3.24 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 122.132 0.968 . . . . 25.0 109.89 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -79.71 163.22 24.68 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.217 -1.356 . . . . 25.0 108.298 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -92.78 163.17 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -32.85 70.26 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.24 -40.63 77.79 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.501 0.72 . . . . 25.0 112.278 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.62 -38.96 90.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.722 0.773 . . . . 25.0 109.402 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.39 -35.31 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.687 -0.688 . . . . 25.0 110.165 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.41 -39.1 93.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.347 0.594 . . . . 25.0 110.303 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.08 -28.88 65.78 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.507 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.0 mtt -72.64 -23.66 60.94 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.706 -0.621 . . . . 25.0 111.656 173.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.2 mm -70.96 -41.64 77.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 171.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -65.84 -31.3 72.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.104 1.52 . . . . 25.0 115.104 -174.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -70.54 -17.87 62.93 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.807 -0.757 . . . . 25.0 111.344 177.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.75 -1.63 29.57 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.153 0.502 . . . . 25.0 110.502 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -86.93 80.97 8.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.811 0.815 . . . . 25.0 112.109 -174.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.55 -42.87 90.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.447 -0.797 . . . . 25.0 111.728 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -88.81 -4.97 58.36 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.433 1.272 . . . . 25.0 114.433 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.66 18.77 76.99 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 116.461 1.344 . . . . 25.0 116.461 174.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -85.91 -2.11 57.95 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.34 8.9 85.7 Favored Glycine 0 CA--C 1.519 0.303 0 N-CA-C 114.529 0.572 . . . . 25.0 114.529 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -136.63 169.86 17.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.285 0.543 . . . . 25.0 109.658 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.1 t -101.33 117.13 46.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 175.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.08 168.05 20.2 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.571 -1.641 . . . . 25.0 106.571 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.24 -46.2 86.37 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 112.837 0.681 . . . . 25.0 112.837 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.56 -37.64 87.28 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 121.484 -0.76 . . . . 25.0 111.509 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.27 -37.88 88.59 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.68 -41.17 92.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 25.0 110.986 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.97 -41.27 89.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.22 -48.03 80.0 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.029 -0.42 . . . . 25.0 111.69 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.2 ptm -67.87 -21.13 65.18 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.742 -0.599 . . . . 25.0 111.747 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.3 tpp -70.54 -32.13 69.45 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 122.094 -0.379 . . . . 25.0 111.27 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.5 t -109.86 -15.03 14.19 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.975 1.472 . . . . 25.0 114.975 -174.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -102.88 39.55 1.52 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.375 0.607 . . . . 25.0 109.885 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.6 pttt . . . . . 0 C--O 1.247 0.965 0 CA-C-N 114.822 -1.081 . . . . 25.0 110.03 -178.869 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.597 -0.52 . . . . 25.0 109.597 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -91.05 163.58 14.26 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -137.82 163.73 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tp -72.87 160.37 32.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.281 0.562 . . . . 25.0 110.305 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 -26.02 7.66 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 114.784 1.402 . . . . 25.0 114.784 -175.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.93 -28.3 68.18 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.356 -0.84 . . . . 25.0 110.874 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.62 -43.46 89.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.402 174.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -66.89 -36.12 81.56 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 121.907 -0.495 . . . . 25.0 110.716 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.82 -37.07 78.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.87 85.75 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.111 -0.368 . . . . 25.0 110.393 176.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.17 -46.0 92.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.683 0.754 . . . . 25.0 110.314 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -70.83 -19.13 62.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.711 -0.618 . . . . 25.0 112.272 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -69.17 -40.54 78.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -73.49 -35.9 65.72 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.96 -0.696 . . . . 25.0 109.482 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.05 73.45 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 120.734 0.302 . . . . 25.0 110.719 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -68.41 -44.17 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -65.98 -22.48 66.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.992 0.425 . . . . 25.0 111.565 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.9 tp -62.72 -36.31 82.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 25.0 109.486 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -89.93 -39.14 13.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.303 -0.862 . . . . 25.0 112.094 177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -79.68 80.83 6.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.899 0.856 . . . . 25.0 110.392 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.67 -21.54 64.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.482 1.289 . . . . 25.0 114.482 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -112.34 0.54 15.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.773 0.657 . . . . 25.0 112.773 -175.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 18.26 75.95 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 171.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -80.1 -1.15 38.85 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.091 0.946 . . . . 25.0 113.182 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.09 -0.26 75.43 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 114.906 0.722 . . . . 25.0 114.906 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -134.86 155.46 50.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 117.148 0.474 . . . . 25.0 111.385 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -108.95 118.26 56.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.726 -1.213 . . . . 25.0 107.726 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.0 p -91.97 168.75 11.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.654 -0.703 . . . . 25.0 109.407 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.2 p -61.98 -31.83 72.23 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.45 -47.89 80.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.424 0.631 . . . . 25.0 109.708 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.2 -40.18 68.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.465 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.32 -43.29 99.16 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.43 -34.26 88.78 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 115.841 -0.618 . . . . 25.0 112.764 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.9 m -62.67 -44.95 94.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.399 0.6 . . . . 25.0 109.769 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.62 -42.21 86.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.991 -0.283 . . . . 25.0 110.348 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.6 mtt -62.91 -39.22 93.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.817 -0.552 . . . . 25.0 112.43 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.85 -21.64 60.03 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.683 -0.636 . . . . 25.0 111.37 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -73.38 -26.27 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.036 0.446 . . . . 25.0 109.876 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.1 mt -90.98 0.8 57.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.716 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.34 0.09 67.93 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 116.624 1.41 . . . . 25.0 116.624 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -79.14 151.74 31.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 118.793 1.297 . . . . 25.0 109.275 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -115.6 60.54 1.6 Allowed Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.016 0.527 . . . . 25.0 112.004 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.66 153.98 49.19 Favored 'Trans proline' 0 C--O 1.25 1.111 0 C-N-CA 115.623 -2.452 . . . . 25.0 114.806 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -82.03 165.69 20.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.782 -1.099 . . . . 25.0 109.022 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -65.68 -32.01 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.957 -0.465 . . . . 25.0 111.202 177.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.52 80.24 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.819 0.342 . . . . 25.0 110.386 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.19 -46.0 89.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.827 0.822 . . . . 25.0 109.598 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.5 mt -69.61 -30.0 67.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.323 -0.853 . . . . 25.0 110.755 -177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.72 -48.51 68.96 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.11 -38.33 82.68 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.746 0.307 . . . . 25.0 111.461 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.86 -29.52 70.7 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.906 0.336 . . . . 25.0 111.906 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.75 -44.42 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.1 mt -58.4 -32.53 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 122.628 0.371 . . . . 25.0 110.974 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.38 -17.66 32.13 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.062 1.504 . . . . 25.0 115.062 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -13.58 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.897 1.073 . . . . 25.0 113.897 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -82.99 59.85 5.13 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.496 0.665 . . . . 25.0 112.491 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.86 67.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.255 0.55 . . . . 25.0 111.832 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -81.18 -18.73 45.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.609 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.08 14.48 82.24 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 117.945 1.938 . . . . 25.0 117.945 174.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -80.34 3.07 22.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.418 1.609 . . . . 25.0 114.545 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.9 3.58 87.8 Favored Glycine 0 C--O 1.239 0.457 0 N-CA-C 115.271 0.868 . . . . 25.0 115.271 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -139.47 164.71 29.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.33 0.565 . . . . 25.0 111.518 -177.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.19 114.01 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 105.987 -1.857 . . . . 25.0 105.987 173.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.24 174.0 8.09 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -55.08 -46.63 99.63 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 116.469 2.026 . . . . 25.0 116.469 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.53 -22.22 24.87 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 113.404 -3.931 . . . . 25.0 113.635 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -76.83 -31.85 57.18 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.77 -37.47 82.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -61.6 -41.81 97.98 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.8 m -66.78 -38.53 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.614 0.721 . . . . 25.0 111.495 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -62.23 -36.23 81.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.383 0.673 . . . . 25.0 109.787 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.6 mmt -81.0 -37.42 29.22 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.133 -0.355 . . . . 25.0 111.265 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.34 73.36 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -68.92 -2.12 8.96 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.87 0.693 . . . . 25.0 112.87 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -108.8 -13.04 14.84 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 123.126 0.57 . . . . 25.0 110.734 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.8 mmt -82.89 1.36 39.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.531 0.682 . . . . 25.0 109.896 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -90.96 -9.89 44.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.444 -0.798 . . . . 25.0 110.672 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -84.39 159.7 20.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.638 -1.245 . . . . 25.0 107.638 -171.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.6 p -68.55 -2.68 9.43 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 -173.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -76.48 -7.27 54.78 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.4 p -89.1 -179.45 5.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 122.075 0.94 . . . . 25.0 112.601 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -60.73 -13.95 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -29.23 70.33 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.542 -0.724 . . . . 25.0 111.963 -178.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -67.35 -39.31 85.75 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.631 0.729 . . . . 25.0 109.311 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.49 -36.82 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -66.69 -42.81 85.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.036 -0.415 . . . . 25.0 111.09 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.01 -47.34 86.9 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.63 82.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.392 . . . . 25.0 111.7 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.89 -40.81 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.013 0.435 . . . . 25.0 109.907 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -70.85 -19.17 62.67 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.15 -37.82 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.293 -1.002 . . . . 25.0 108.293 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -86.17 -45.22 11.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.196 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -84.48 71.96 10.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.706 0.765 . . . . 25.0 110.635 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -71.54 -15.82 62.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.698 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -72.19 -26.18 61.96 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.98 20.34 77.75 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.76 2.62 56.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.196 1.184 . . . . 25.0 114.196 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.87 3.81 70.19 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 114.786 0.674 . . . . 25.0 114.786 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -139.42 140.96 37.5 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.855 0.328 . . . . 25.0 110.51 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt -99.79 122.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 172.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.7 p -89.29 164.74 14.8 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.846 0.355 . . . . 25.0 110.084 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.17 76.17 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 173.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.38 96.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.202 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -69.17 -39.8 78.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.452 -0.155 . . . . 25.0 110.736 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.38 -45.1 89.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.415 0.626 . . . . 25.0 109.369 178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -59.6 -40.3 87.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.591 -0.731 . . . . 25.0 110.707 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.71 -48.42 79.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 25.0 111.382 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.48 -45.42 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mtm -64.02 -37.81 88.8 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 55.9 m -59.84 -38.75 82.95 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.196 -0.315 . . . . 25.0 110.242 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.65 -25.8 61.41 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 122.107 -0.371 . . . . 25.0 111.452 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.2 mt -76.82 -14.66 59.89 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.46 -8.76 57.02 Favored Glycine 0 C--O 1.237 0.283 0 N-CA-C 111.887 -0.485 . . . . 25.0 111.887 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.02 148.53 45.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.356 0.598 . . . . 25.0 110.861 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -136.02 56.4 1.82 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.103 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.35 159.94 33.66 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.6 -1.629 . . . . 25.0 106.6 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.8 p -83.5 167.14 17.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.72 -33.73 74.55 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 121.757 0.789 . . . . 25.0 110.504 177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.83 -43.5 83.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.165 -0.925 . . . . 25.0 110.923 177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -36.17 83.32 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.251 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.16 -41.19 86.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.64 -41.89 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.922 0.391 . . . . 25.0 110.801 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.74 -43.46 85.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.289 0.566 . . . . 25.0 110.687 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.7 ttm -64.07 -40.03 95.36 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.28 -41.32 78.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.496 -0.774 . . . . 25.0 109.171 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -62.1 -30.27 70.9 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -175.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.08 -17.21 62.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.143 0.497 . . . . 25.0 111.784 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.83 -20.04 14.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.729 0.3 . . . . 25.0 111.478 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -82.76 81.71 8.39 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -64.23 -44.48 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.761 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -85.69 -8.27 58.3 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -174.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.58 17.54 80.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 116.204 1.242 . . . . 25.0 116.204 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -82.38 0.04 43.75 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.582 1.191 . . . . 25.0 113.706 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.43 5.12 85.3 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.66 -0.305 . . . . 25.0 113.731 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -135.67 166.63 22.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.365 -0.491 . . . . 25.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -101.63 115.18 42.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -77.62 170.42 16.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -59.83 -43.16 94.7 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.645 -0.659 . . . . 25.0 112.407 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.31 -36.37 79.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.863 0.84 . . . . 25.0 111.147 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -68.61 -33.67 74.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.388 -0.823 . . . . 25.0 110.358 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -62.42 -41.54 98.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.9 t -65.97 -39.86 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.96 -51.28 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.807 -0.558 . . . . 25.0 110.738 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.36 -17.97 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.816 -0.552 . . . . 25.0 112.081 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.38 -37.39 80.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.81 -0.556 . . . . 25.0 109.535 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.2 t -100.98 -25.33 14.11 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.594 1.331 . . . . 25.0 114.594 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.5 137.06 32.65 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt . . . . . 0 C--O 1.252 1.196 0 CA-C-O 115.705 -2.093 . . . . 25.0 105.616 -179.276 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 110.306 -0.257 . . . . 25.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -89.93 -173.4 3.87 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.585 -0.895 . . . . 25.0 108.585 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -69.03 163.14 25.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.944 0.402 . . . . 25.0 110.581 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.84 147.51 51.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 p -79.52 164.75 23.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.11 -27.7 67.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.676 -0.64 . . . . 25.0 111.201 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 mp0 -65.06 -42.91 93.79 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 109.33 -0.619 . . . . 25.0 109.33 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.7 -40.24 92.06 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.461 0.648 . . . . 25.0 110.181 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.72 -35.82 72.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -39.33 79.56 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.007 -0.433 . . . . 25.0 110.838 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.85 -43.19 99.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.334 0.588 . . . . 25.0 109.816 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -67.71 -24.9 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.681 -0.637 . . . . 25.0 111.426 177.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.0 -41.15 71.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.189 -0.319 . . . . 25.0 110.547 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.56 -35.28 67.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.852 -0.739 . . . . 25.0 109.351 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.11 74.7 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.004 0.431 . . . . 25.0 110.138 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -67.77 -43.86 78.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.127 -0.358 . . . . 25.0 110.189 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.4 m -65.54 -21.32 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.01 -39.91 91.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -88.29 -37.92 15.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.511 -0.768 . . . . 25.0 112.545 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -79.96 85.94 5.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.015 0.912 . . . . 25.0 111.204 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -69.91 -24.26 63.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 25.0 112.057 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.09 -27.89 54.31 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 121.109 -0.236 . . . . 25.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.53 22.99 76.52 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.429 -0.415 . . . . 25.0 112.966 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -102.25 -0.59 32.73 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.233 1.197 . . . . 25.0 114.233 -174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.98 8.4 61.77 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.724 0.65 . . . . 25.0 114.724 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -130.29 155.8 45.71 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.395 0.597 . . . . 25.0 111.007 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.6 mt -119.27 120.2 63.05 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 169.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -109.28 171.03 7.68 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 t -55.61 -33.79 64.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -58.83 -45.52 89.81 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.733 0.778 . . . . 25.0 110.544 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.39 -38.82 59.71 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.491 -0.777 . . . . 25.0 111.332 -175.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.79 -44.87 96.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.1 91.61 Favored Glycine 0 C--O 1.223 -0.564 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.394 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.2 m -64.34 -43.2 95.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.019 -0.695 . . . . 25.0 110.509 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.59 -40.5 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 25.0 110.058 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.7 -40.27 94.43 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.937 -0.477 . . . . 25.0 110.967 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.61 -18.19 61.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.391 -0.818 . . . . 25.0 112.274 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 m -72.46 -26.91 62.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 171.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -92.0 5.28 50.74 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.895 0.878 . . . . 25.0 110.051 176.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.11 -7.06 68.39 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 114.971 0.748 . . . . 25.0 114.971 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -79.53 128.52 33.48 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.25 68.19 79.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.432 . . . . 25.0 111.387 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.83 172.46 15.3 Favored 'Trans proline' 0 C--O 1.242 0.719 0 O-C-N 121.836 0.387 . . . . 25.0 112.256 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -77.23 166.34 23.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.479 0.657 . . . . 25.0 110.001 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -65.97 -27.51 68.2 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.06 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 122.443 -0.16 . . . . 25.0 110.618 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.65 -41.33 96.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.917 0.865 . . . . 25.0 108.958 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.14 -34.8 78.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.909 -0.495 . . . . 25.0 110.371 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -67.19 -45.72 76.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.179 0.437 . . . . 25.0 112.179 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.44 -31.2 69.38 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.313 -0.955 . . . . 25.0 111.398 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 81.2 mtp -69.95 -28.34 65.48 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.046 -0.409 . . . . 25.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.6 mm -73.39 -46.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 174.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.56 -29.01 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 122.923 0.489 . . . . 25.0 112.247 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -23.71 51.97 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.88 -34.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.084 0.468 . . . . 25.0 111.012 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -78.98 63.4 3.65 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.96 0.904 . . . . 25.0 113.429 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.69 67.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.565 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.13 -16.21 53.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 11.5 85.47 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 118.055 1.982 . . . . 25.0 118.055 173.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -77.21 4.93 9.35 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.473 1.636 . . . . 25.0 114.988 -177.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.15 3.65 88.78 Favored Glycine 0 C--O 1.245 0.803 0 N-CA-C 114.248 0.459 . . . . 25.0 114.248 174.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.5 p -140.66 166.34 25.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.532 0.682 . . . . 25.0 112.463 -176.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -112.65 102.95 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 175.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -77.18 176.55 8.63 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -54.55 -47.12 98.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -65.45 -26.85 54.86 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 114.29 -3.34 . . . . 25.0 113.86 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -75.96 -28.93 58.1 Favored 'General case' 0 C--O 1.214 -0.775 0 O-C-N 121.985 -0.447 . . . . 25.0 110.154 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.27 -37.06 84.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.242 -0.436 . . . . 25.0 109.896 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 m -64.5 -38.06 89.71 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 122.013 -0.43 . . . . 25.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 55.5 ttp -66.81 -37.14 83.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.793 -0.567 . . . . 25.0 110.218 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 mmt -67.67 -36.74 81.28 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.427 -0.582 . . . . 25.0 109.427 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.88 78.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.079 -0.388 . . . . 25.0 110.959 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -64.2 -36.26 83.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -69.67 -22.61 63.42 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 120.677 0.275 . . . . 25.0 111.125 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.53 5.08 11.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' ' 78' ' ' ASP . 5.4 tmtt? -72.64 144.1 47.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.014 -0.674 . . . . 25.0 109.246 177.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.459 ' H ' ' HD3' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -60.24 150.1 31.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.883 -1.053 . . . . 25.0 110.517 178.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -158.75 162.82 37.16 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 105.066 -2.198 . . . . 25.0 105.066 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -49.29 -46.77 46.93 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.783 1.401 . . . . 25.0 114.783 -171.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 p -72.14 -30.71 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -91.67 -22.94 19.99 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.823 1.046 . . . . 25.0 113.823 -177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -60.07 -38.37 82.66 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 -172.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.9 -43.34 99.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.574 0.702 . . . . 25.0 110.23 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.09 -42.11 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -65.11 -40.43 94.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.685 0.254 . . . . 25.0 111.685 -178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.49 -46.19 84.07 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.874 0.369 . . . . 25.0 110.701 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.55 -40.81 97.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.514 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -63.78 -25.71 68.3 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.59 -43.17 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -82.68 -38.69 23.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 25.0 110.91 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -88.1 54.98 3.26 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.134 0.969 . . . . 25.0 109.146 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -2.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 115.264 1.579 . . . . 25.0 115.264 -175.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 p30 -114.93 1.51 14.04 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.41 41.0 86.56 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -83.18 -27.13 30.26 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.545 1.173 . . . . 25.0 111.459 175.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.1 4.03 69.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 108.995 -1.642 . . . . 25.0 108.995 -167.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -142.05 137.51 31.11 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 123.797 0.839 . . . . 25.0 110.246 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -96.11 114.22 32.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 174.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.8 p -84.11 164.46 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.705 -0.622 . . . . 25.0 110.407 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.35 74.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.202 0.525 . . . . 25.0 110.01 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.61 78.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.069 0.461 . . . . 25.0 111.506 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.04 -41.16 64.49 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.114 -0.366 . . . . 25.0 110.88 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.93 -42.46 97.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -58.07 -37.84 75.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 25.0 111.38 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.58 -46.88 77.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.062 -0.399 . . . . 25.0 110.924 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.64 -45.91 96.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.387 -0.598 . . . . 25.0 109.387 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 33.5 mtt -59.52 -37.71 79.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.8 m -62.25 -40.0 94.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -72.46 -26.45 61.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.774 0.321 . . . . 25.0 111.141 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.79 -14.03 59.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.03 0.443 . . . . 25.0 110.031 176.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.81 26.16 35.84 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 116.245 -0.434 . . . . 25.0 113.212 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -71.73 162.9 28.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.441 0.621 . . . . 25.0 111.821 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -131.17 35.57 3.9 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.627 0.727 . . . . 25.0 110.651 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.95 156.28 26.05 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.282 -1.326 . . . . 25.0 109.133 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.4 p -83.87 165.44 18.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 177.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.0 -34.07 77.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.86 -35.46 74.72 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.395 0.678 . . . . 25.0 111.498 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.09 -37.06 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.353 0.597 . . . . 25.0 110.266 177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.88 -39.17 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.65 -44.73 92.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.235 0.541 . . . . 25.0 111.591 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.45 -30.44 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.16 -0.616 . . . . 25.0 111.077 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 mtp -67.94 -38.5 82.9 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.892 -0.505 . . . . 25.0 111.187 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.6 mm -64.55 -39.65 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 177.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 -62.4 -22.21 65.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 114.767 1.395 . . . . 25.0 114.767 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.83 -25.09 63.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 118.023 0.374 . . . . 25.0 111.351 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.99 -15.17 14.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.928 0.394 . . . . 25.0 111.409 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -85.37 78.94 9.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.778 0.799 . . . . 25.0 111.6 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.52 -42.34 94.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.079 -0.964 . . . . 25.0 111.036 -177.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -81.62 -13.79 57.52 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.06 14.36 79.43 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 117.647 1.819 . . . . 25.0 117.647 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.61 -0.04 40.59 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.85 1.325 . . . . 25.0 114.548 -178.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.08 8.3 79.01 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 122.121 -0.362 . . . . 25.0 113.216 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -137.35 167.18 22.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.407 0.623 . . . . 25.0 110.369 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.81 117.23 51.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.63 171.19 15.47 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.037 -1.468 . . . . 25.0 107.037 -177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -58.91 -46.18 88.52 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.3 -36.99 74.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.661 -0.65 . . . . 25.0 112.318 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.86 -34.54 77.58 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.049 -0.523 . . . . 25.0 109.987 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -66.51 -34.82 78.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.229 -0.295 . . . . 25.0 110.788 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.2 -40.84 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 175.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -40.03 95.51 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.971 -0.456 . . . . 25.0 110.356 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.5 ttt -66.87 -25.81 66.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.413 0.625 . . . . 25.0 111.559 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.9 ttm -80.35 -37.2 32.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 25.0 111.424 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.4 t -95.8 -11.09 27.43 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -153.19 167.9 27.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.936 0.398 . . . . 25.0 110.424 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? . . . . . 0 C--O 1.239 0.506 0 N-CA-C 101.168 -3.642 . . . . 25.0 101.168 176.311 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.06 151.98 45.68 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 124.421 1.076 . . . . 25.0 109.916 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -122.31 149.56 43.57 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.662 0.268 . . . . 25.0 110.663 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -36.02 81.33 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.102 0.953 . . . . 25.0 109.132 176.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -66.58 -35.87 81.24 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.892 -0.594 . . . . 25.0 111.126 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -68.78 -35.98 77.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -48.0 82.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 25.0 109.775 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.77 -42.39 97.36 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 120.908 0.385 . . . . 25.0 111.542 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.7 mt -61.03 -40.31 85.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.79 78.82 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.042 0.383 . . . . 25.0 110.914 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.25 -53.78 53.61 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.02 0.914 . . . . 25.0 111.658 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -74.45 -15.64 60.89 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.748 -0.66 . . . . 25.0 112.364 -175.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.35 -46.73 75.78 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.79 -0.569 . . . . 25.0 110.15 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -70.26 -35.72 73.97 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.102 -0.639 . . . . 25.0 109.423 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -29.06 69.51 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.246 -0.433 . . . . 25.0 111.026 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.88 -45.95 55.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.773 -0.579 . . . . 25.0 110.078 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -69.01 -15.11 63.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.366 0.603 . . . . 25.0 111.964 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.91 -39.8 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.85 -45.71 8.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.348 -0.842 . . . . 25.0 112.798 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.93 93.18 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.652 0.739 . . . . 25.0 111.5 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -81.2 -22.73 38.65 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.711 -0.677 . . . . 25.0 111.276 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -75.92 -27.61 57.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.784 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.86 23.77 71.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 111.176 -0.769 . . . . 25.0 111.176 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 p30 -96.22 -2.46 46.12 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.81 6.51 72.45 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 114.921 0.728 . . . . 25.0 114.921 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.3 p -135.96 152.33 50.86 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.261 0.531 . . . . 25.0 111.897 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.6 mt -116.35 122.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -104.51 168.27 9.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.45 67.41 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -37.99 87.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.908 -0.495 . . . . 25.0 111.348 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -70.78 -44.25 67.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.947 0.403 . . . . 25.0 110.725 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.43 -44.25 92.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.878 0.847 . . . . 25.0 108.815 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.57 -28.93 74.11 Favored Glycine 0 CA--C 1.509 -0.307 0 CA-C-N 115.237 -0.892 . . . . 25.0 114.665 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.2 m -66.14 -41.61 90.18 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.81 -40.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 122.048 -0.407 . . . . 25.0 110.288 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.7 mmt -57.59 -43.95 85.02 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.809 -0.356 . . . . 25.0 111.472 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.63 -17.97 57.22 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -72.73 -24.23 60.95 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mt -91.73 8.94 34.66 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.639 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 4.24 90.39 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 115.436 0.934 . . . . 25.0 115.436 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -85.87 158.02 20.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.898 -0.778 . . . . 25.0 108.898 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -129.54 60.52 51.91 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 113.61 0.966 . . . . 25.0 113.61 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.93 156.46 34.52 Favored 'Trans proline' 0 C--O 1.242 0.721 0 C-N-CA 117.773 -1.018 . . . . 25.0 113.305 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -82.09 162.77 22.41 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 48' ' ' LEU . 26.4 pt-20 -73.2 -18.95 61.2 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 120.668 -1.27 . . . . 25.0 113.04 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.39 -37.58 56.96 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -66.25 -40.32 90.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.123 0.964 . . . . 25.0 108.714 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 45' ' ' GLU . 32.4 mt -67.19 -27.88 67.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.799 -0.637 . . . . 25.0 110.744 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -73.6 -36.47 65.52 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-O 119.088 -0.482 . . . . 25.0 111.645 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.26 -27.63 64.59 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.343 0.974 . . . . 25.0 110.723 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.84 -27.54 68.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 25.0 110.745 174.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.8 mt -83.68 -43.53 18.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.07 -31.82 46.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 122.458 0.303 . . . . 25.0 110.754 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.12 -17.0 56.43 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.64 0.978 . . . . 25.0 113.64 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -23.36 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -79.84 55.92 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.902 0.881 . . . . 25.0 112.782 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.6 -19.87 65.87 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.305 0.574 . . . . 25.0 110.857 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.12 -20.35 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.635 -0.711 . . . . 25.0 111.438 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.82 10.62 84.87 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 118.394 2.117 . . . . 25.0 118.394 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -79.89 0.68 30.16 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.048 1.924 . . . . 25.0 114.59 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.71 3.03 84.03 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 116.053 1.181 . . . . 25.0 116.053 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.4 p -140.17 165.38 27.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.76 0.78 . . . . 25.0 111.488 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.0 mt -96.34 112.23 28.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 105.593 -2.003 . . . . 25.0 105.593 170.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.85 169.12 13.63 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -56.66 -47.22 99.39 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.701 1.741 . . . . 25.0 115.701 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -69.41 -21.27 35.36 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 114.096 -3.469 . . . . 25.0 113.643 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -77.59 -30.1 52.33 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.513 -0.551 . . . . 25.0 109.513 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.53 -40.91 89.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 174.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.17 -41.08 99.18 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.759 -0.655 . . . . 25.0 109.762 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -66.01 -38.24 87.94 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.901 0.382 . . . . 25.0 111.192 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.4 ttt -60.18 -41.04 92.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.88 -41.51 67.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 25.0 110.565 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.17 73.97 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -64.76 -30.79 71.81 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.941 -0.474 . . . . 25.0 111.288 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -84.12 -22.65 31.0 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.278 0.231 . . . . 25.0 110.926 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 27.7 mmt -102.31 15.34 29.43 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 122.88 0.472 . . . . 25.0 110.351 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -74.93 122.72 23.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.909 -0.774 . . . . 25.0 108.909 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -62.63 152.13 36.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.647 0.737 . . . . 25.0 112.081 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -91.07 14.91 12.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.261 0.553 . . . . 25.0 110.12 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -74.76 4.14 6.83 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 p -59.57 136.15 57.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.034 0.445 . . . . 25.0 109.935 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -57.48 -14.43 5.0 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 115.296 1.591 . . . . 25.0 115.296 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -55.94 -40.65 73.49 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.068 -0.395 . . . . 25.0 111.719 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -33.54 67.36 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.034 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.59 -39.22 83.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 107.982 -1.118 . . . . 25.0 107.982 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.23 -42.14 96.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 25.0 110.281 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.33 -46.31 80.75 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 122.209 -0.307 . . . . 25.0 110.688 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.56 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 25.0 110.648 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -63.5 -43.86 96.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -69.09 -15.18 63.38 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.487 1.291 . . . . 25.0 114.487 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.35 -39.65 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -92.09 -35.5 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.052 -0.522 . . . . 25.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -94.98 49.83 1.25 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.741 0.781 . . . . 25.0 110.862 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HD3' ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -67.39 -12.94 61.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.831 -0.622 . . . . 25.0 111.581 176.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -84.91 -14.05 48.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 25.0 110.498 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.24 25.61 75.19 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 118.021 1.968 . . . . 25.0 118.021 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.28 -1.69 57.95 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.101 1.45 . . . . 25.0 113.926 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.47 4.22 68.34 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 114.912 0.725 . . . . 25.0 114.912 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.51 146.22 41.71 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.708 0.254 . . . . 25.0 110.542 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.85 115.05 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -92.77 161.95 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.879 -0.728 . . . . 25.0 109.309 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.69 -39.46 80.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.389 0.614 . . . . 25.0 110.095 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -30.06 71.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.09 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -81.03 -42.09 21.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.761 -0.2 . . . . 25.0 110.754 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -47.06 78.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.738 -0.21 . . . . 25.0 110.612 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -27.27 68.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 120.729 -0.388 . . . . 25.0 111.385 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -69.36 -42.96 74.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.249 -0.58 . . . . 25.0 110.066 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.6 t -63.92 -43.03 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 26.3 mtt -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.487 0.551 . . . . 25.0 112.487 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -63.19 -38.29 90.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.736 0.303 . . . . 25.0 110.271 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.4 -28.87 64.31 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.96 -0.462 . . . . 25.0 110.82 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.11 -24.06 47.64 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.841 0.456 . . . . 25.0 111.466 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.01 36.78 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.442 -0.408 . . . . 25.0 112.099 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.36 159.64 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.038 0.447 . . . . 25.0 110.289 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -121.62 64.34 0.9 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 25.0 112.023 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.1 mt -120.83 163.19 18.54 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 105.072 -2.195 . . . . 25.0 105.072 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.5 p -98.99 171.3 8.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.01 -32.89 73.42 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.62 -38.54 73.95 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.69 -38.99 93.18 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.894 0.854 . . . . 25.0 109.186 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.62 -42.02 80.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.6 -0.727 . . . . 25.0 109.824 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.49 -41.01 96.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.823 -0.171 . . . . 25.0 111.361 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.32 -44.07 92.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.976 0.417 . . . . 25.0 110.826 176.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttp -64.1 -40.91 97.26 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.236 0.541 . . . . 25.0 112.241 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.4 mm -67.13 -40.27 84.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.418 -1.265 . . . . 25.0 107.638 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -61.8 -31.07 71.26 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -69.1 -25.33 64.36 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.992 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -97.58 -14.08 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.303 0.573 . . . . 25.0 111.426 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -85.76 78.86 9.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.791 0.805 . . . . 25.0 111.869 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.17 -41.44 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.34 -0.846 . . . . 25.0 111.737 -176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -83.36 -11.14 57.97 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.495 1.294 . . . . 25.0 114.495 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.41 18.66 75.6 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 117.07 1.588 . . . . 25.0 117.07 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.97 0.0 54.35 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.77 7.72 74.37 Favored Glycine 0 C--O 1.244 0.733 0 O-C-N 122.181 -0.325 . . . . 25.0 113.372 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -137.58 163.78 30.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.135 0.493 . . . . 25.0 110.657 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.93 116.99 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 106.881 -1.525 . . . . 25.0 106.881 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.25 162.3 28.06 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.0 -36.73 77.84 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.293 -0.88 . . . . 25.0 110.855 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.87 -45.78 90.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.273 0.559 . . . . 25.0 111.699 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.48 -34.92 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.912 -0.585 . . . . 25.0 110.83 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.46 -39.08 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.048 0.451 . . . . 25.0 110.706 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -74.44 -39.46 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -59.33 -47.14 86.52 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.017 -0.427 . . . . 25.0 111.495 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 ptm -70.56 -20.84 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 25.0 111.444 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.6 ttm -80.83 -36.85 31.01 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.9 t -138.49 9.51 2.68 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.401 2.0 . . . . 25.0 116.401 -172.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -131.92 -172.95 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.506 -0.746 . . . . 25.0 111.023 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 mttm . . . . . 0 C--O 1.241 0.636 0 N-CA-C 103.998 -2.593 . . . . 25.0 103.998 178.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 118.756 -0.64 . . . . 25.0 109.55 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 57.45 33.07 22.77 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.469 1.128 . . . . 25.0 111.096 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -91.7 153.06 19.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.381 -1.281 . . . . 25.0 110.395 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.7 147.78 41.13 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -24.26 67.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.994 -0.441 . . . . 25.0 111.77 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.55 -19.93 65.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.865 -0.522 . . . . 25.0 112.337 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -69.78 -37.93 76.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -73.8 -34.05 64.46 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.971 -0.456 . . . . 25.0 110.326 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.94 -35.5 68.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 107.916 -1.142 . . . . 25.0 107.916 174.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.14 86.15 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.736 -0.603 . . . . 25.0 111.39 175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.4 -44.35 96.65 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.643 0.735 . . . . 25.0 109.645 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -69.98 -22.55 63.13 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.431 -0.793 . . . . 25.0 111.965 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -71.02 -35.19 71.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.91 -38.1 72.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.53 -29.65 70.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.855 0.36 . . . . 25.0 110.967 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.83 -44.57 69.68 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -67.84 -17.84 64.63 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.146 0.425 . . . . 25.0 112.146 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.84 -23.7 67.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.328 0.585 . . . . 25.0 109.548 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -104.1 -44.43 4.99 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.754 -0.657 . . . . 25.0 110.322 175.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.9 82.08 8.49 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.053 0.941 . . . . 25.0 109.392 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.78 -30.34 71.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.772 1.397 . . . . 25.0 114.772 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -89.04 -10.1 48.77 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 120.29 -0.564 . . . . 25.0 112.189 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.59 15.83 79.18 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 116.88 1.512 . . . . 25.0 116.88 176.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -77.62 -4.93 48.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.737 1.268 . . . . 25.0 113.861 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.96 -1.15 60.96 Favored Glycine 0 C--N 1.331 0.272 0 N-CA-C 114.151 0.42 . . . . 25.0 114.151 177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -136.17 132.86 36.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.175 0.512 . . . . 25.0 111.71 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.6 mt -85.53 113.71 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 104.359 -2.46 . . . . 25.0 104.359 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -90.43 167.63 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -174.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.8 t -62.13 -28.98 70.02 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.134 0.492 . . . . 25.0 109.947 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.33 -42.38 96.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.535 0.683 . . . . 25.0 110.325 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -75.66 -35.79 60.31 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 25.0 111.433 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.45 -43.92 96.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.7 -35.17 89.15 Favored Glycine 0 C--O 1.217 -0.948 0 CA-C-N 115.115 -0.948 . . . . 25.0 111.998 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -63.94 -42.77 97.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.745 -0.856 . . . . 25.0 110.182 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -69.74 -38.28 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 121.8 -0.562 . . . . 25.0 110.257 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 mmt -64.3 -35.47 80.97 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 121.807 -0.558 . . . . 25.0 111.763 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -75.28 -16.59 60.43 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 t -70.77 -24.78 62.66 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 171.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.97 -14.06 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.482 -0.781 . . . . 25.0 109.619 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.78 -6.13 56.95 Favored Glycine 0 C--O 1.217 -0.928 0 CA-C-N 115.625 -0.716 . . . . 25.0 114.375 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.437 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 27.2 mm100 -64.55 141.7 58.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 -174.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -122.64 69.18 33.63 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -79.3 166.24 22.66 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 118.338 -0.641 . . . . 25.0 111.772 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 p -77.51 165.68 24.03 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.35 -24.46 62.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 120.788 -1.195 . . . . 25.0 111.579 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.66 65.76 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.82 -28.89 69.87 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 114.917 -1.038 . . . . 25.0 110.035 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 mt -79.68 -33.35 41.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.457 -0.777 . . . . 25.0 110.768 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.08 -39.29 79.15 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.906 1.23 . . . . 25.0 110.865 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.3 mtt -67.08 -27.45 67.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.395 0.616 . . . . 25.0 110.674 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.4 mt -81.27 -45.24 20.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.99 -30.93 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.57 -17.81 56.62 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.99 -23.3 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 112.008 0.373 . . . . 25.0 112.008 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -80.34 67.78 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.967 0.889 . . . . 25.0 112.486 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.5 -25.26 67.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.199 -0.91 . . . . 25.0 113.197 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -87.81 -7.87 56.69 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.87 16.61 76.45 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 117.424 1.73 . . . . 25.0 117.424 174.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -84.61 -0.16 52.3 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.25 3.41 75.67 Favored Glycine 0 C--O 1.242 0.653 0 N-CA-C 115.792 1.077 . . . . 25.0 115.792 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -139.03 153.16 48.07 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.771 0.785 . . . . 25.0 111.411 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.8 mt -91.62 103.16 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 106.864 -1.532 . . . . 25.0 106.864 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.26 178.65 5.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -51.57 -44.35 89.46 Favored Pre-proline 0 CA--C 1.55 0.947 0 N-CA-C 117.349 2.352 . . . . 25.0 117.349 -174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -71.24 -25.03 22.54 Favored 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 113.023 -4.184 . . . . 25.0 113.586 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -82.2 -26.77 33.04 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.222 0.534 . . . . 25.0 109.693 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.19 -37.29 86.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 171.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -64.45 -41.0 96.78 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -63.9 -40.26 96.08 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.23 0.538 . . . . 25.0 110.828 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.9 ttp -61.13 -37.79 84.07 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.713 0.405 . . . . 25.0 110.538 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.3 mmt -77.58 -34.66 53.51 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.854 -0.339 . . . . 25.0 110.876 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.52 95.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -67.09 -23.61 65.87 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.778 -0.769 . . . . 25.0 111.03 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -85.81 6.2 29.14 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.5 mtt -96.48 8.66 43.54 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 173.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -108.23 -145.23 0.39 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.25 164.45 11.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 171.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -68.49 -0.74 5.36 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.488 1.662 . . . . 25.0 115.488 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -56.46 96.96 0.02 OUTLIER 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.822 0.82 . . . . 25.0 112.791 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 p -164.4 165.41 21.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.003 -1.851 . . . . 25.0 106.003 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 13.9 mp0 -66.08 -19.09 65.73 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 121.196 0.522 . . . . 25.0 110.635 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -58.08 -37.84 75.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.217 1.191 . . . . 25.0 114.217 -175.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -75.15 -33.94 61.56 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.622 -0.831 . . . . 25.0 109.154 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.7 -39.64 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.339 -0.985 . . . . 25.0 108.339 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -59.53 -41.68 90.57 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.526 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.56 -38.75 81.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.984 -0.448 . . . . 25.0 111.507 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.95 82.31 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.305 0.574 . . . . 25.0 110.072 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -66.64 -36.33 82.3 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.986 -0.446 . . . . 25.0 110.96 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -64.49 -19.45 65.59 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.14 -28.37 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.54 -45.84 3.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 114.083 1.142 . . . . 25.0 114.083 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -81.32 78.03 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.688 0.756 . . . . 25.0 111.273 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -103.36 -1.0 29.36 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.254 -0.885 . . . . 25.0 112.36 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -96.28 -7.01 36.57 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.46 26.42 74.55 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 116.706 1.442 . . . . 25.0 116.706 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.7 -1.42 55.2 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.731 1.266 . . . . 25.0 114.128 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 41' ' ' GLN . . . 91.68 -2.98 77.83 Favored Glycine 0 CA--C 1.509 -0.326 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -139.78 165.34 27.54 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 mt -108.35 115.03 48.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.484 -1.673 . . . . 25.0 106.484 172.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -105.46 165.93 10.79 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.954 -0.466 . . . . 25.0 110.629 -176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.58 89.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.698 0.285 . . . . 25.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.82 69.93 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.008 -0.542 . . . . 25.0 112.006 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -86.25 -41.39 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.038 0.447 . . . . 25.0 110.164 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.7 tp -65.31 -37.65 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.15 -0.344 . . . . 25.0 110.435 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -23.27 65.39 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 121.592 -0.692 . . . . 25.0 111.367 176.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.8 t60 -69.4 -42.79 74.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.53 -45.59 93.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 37.1 mtp -65.68 -38.37 89.09 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.1 m -58.19 -41.52 84.12 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.038 0.447 . . . . 25.0 110.11 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.88 -26.62 60.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.747 -0.66 . . . . 25.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -33.14 65.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.51 -26.9 2.25 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 115.119 0.807 . . . . 25.0 115.119 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -94.49 146.37 24.14 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -126.3 75.46 1.53 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.726 0.774 . . . . 25.0 110.681 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.53 164.68 23.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.521 -1.218 . . . . 25.0 109.019 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 49.0 p -77.18 163.91 26.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -39.63 84.93 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -66.3 -36.37 82.77 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.48 0.918 . . . . 25.0 113.48 -178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.82 -36.08 82.73 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.073 0.939 . . . . 25.0 109.424 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -83.27 -31.32 8.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.819 0 CA-C-N 115.381 -0.827 . . . . 25.0 110.187 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -66.16 -37.63 86.11 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 109.26 -0.645 . . . . 25.0 109.26 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.38 -35.34 78.88 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.658 174.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.5 mtm -68.23 -36.58 79.73 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.928 -0.482 . . . . 25.0 111.541 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.8 mm -65.61 -40.37 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 109.381 -0.6 . . . . 25.0 109.381 177.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.3 -28.67 69.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -175.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -67.46 -17.05 64.55 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 111.627 0.232 . . . . 25.0 111.627 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -114.98 -2.06 12.94 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.904 0.383 . . . . 25.0 110.765 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.34 80.62 7.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.669 0.747 . . . . 25.0 111.106 -176.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.86 -43.15 93.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.252 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -86.41 -9.84 55.49 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.389 1.255 . . . . 25.0 114.389 -176.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.99 20.28 63.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.55 -1.37 57.03 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.742 1.271 . . . . 25.0 114.348 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.29 8.29 71.65 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 121.447 -0.406 . . . . 25.0 113.766 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -141.53 169.42 17.63 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.312 -0.522 . . . . 25.0 110.186 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.4 t -100.68 120.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -81.75 173.41 12.33 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.1 -42.75 93.75 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.805 -0.559 . . . . 25.0 110.45 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.85 -44.14 94.27 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.027 0.918 . . . . 25.0 111.487 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.08 -32.61 73.9 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.688 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.1 -38.09 89.6 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.998 -0.546 . . . . 25.0 109.766 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.41 -42.05 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 O-C-N 121.559 -0.713 . . . . 25.0 109.356 176.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.257 -0.277 . . . . 25.0 110.377 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 65.6 ttp -71.52 -40.2 70.26 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 120.842 0.354 . . . . 25.0 110.986 177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 28.6 ttt -68.25 -35.55 78.08 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.6 t -77.76 -7.59 56.78 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.368 0.604 . . . . 25.0 110.3 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -91.69 6.95 43.88 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.93 -0.481 . . . . 25.0 111.308 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 13.3 tttt . . . . . 0 C--O 1.249 1.027 0 O-C-N 124.497 1.123 . . . . 25.0 112.386 176.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 109.95 -0.389 . . . . 25.0 109.95 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -75.35 168.95 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.439 0.637 . . . . 25.0 112.546 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.1 139.0 56.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.895 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.98 136.44 55.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 25.0 110.673 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -102.52 165.03 11.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -65.64 -29.15 69.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.06 -0.4 . . . . 25.0 110.431 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -64.47 -42.7 95.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.728 0.775 . . . . 25.0 109.512 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.83 -39.93 79.72 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 115.634 -0.712 . . . . 25.0 110.5 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.13 -37.58 73.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.47 86.4 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 122.037 -0.414 . . . . 25.0 110.62 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.75 -39.98 93.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.209 0.528 . . . . 25.0 110.025 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -70.84 -24.1 62.47 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.822 -0.549 . . . . 25.0 111.515 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -69.38 -41.26 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -71.32 -36.12 71.47 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.011 -0.675 . . . . 25.0 110.073 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -36.84 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 25.0 110.046 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -65.38 -42.84 92.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.595 -0.52 . . . . 25.0 109.595 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -65.89 -20.72 66.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.538 . . . . 25.0 112.017 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.13 -40.56 94.6 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.8 -38.12 23.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.539 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.3 95.9 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.653 0.74 . . . . 25.0 110.754 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.98 -21.73 43.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -105.12 -13.25 15.78 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.759 0.651 . . . . 25.0 112.759 -175.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.84 15.92 76.4 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 115.896 1.118 . . . . 25.0 115.896 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 p30 -80.22 -2.18 43.8 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.74 10.36 70.02 Favored Glycine 0 C--O 1.239 0.433 0 C-N-CA 121.289 -0.482 . . . . 25.0 113.787 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -134.73 152.88 52.1 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 122.833 0.453 . . . . 25.0 111.934 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.78 118.48 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 173.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -87.75 164.74 15.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -35.84 72.31 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.514 0.673 . . . . 25.0 109.585 174.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.04 -44.43 97.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 25.0 111.441 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -70.01 -41.66 74.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.75 0.309 . . . . 25.0 111.358 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.16 -45.21 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.779 0.8 . . . . 25.0 109.144 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -32.7 85.09 Favored Glycine 0 C--O 1.219 -0.789 0 CA-C-N 114.947 -1.024 . . . . 25.0 112.999 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.7 m -61.84 -43.5 98.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.693 0.746 . . . . 25.0 109.43 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.41 -43.96 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.498 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.0 mtt -62.97 -40.6 98.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.921 -0.487 . . . . 25.0 111.877 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -69.99 -26.24 63.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.67 -0.644 . . . . 25.0 111.236 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 t -71.73 -27.36 62.95 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.03 3.58 45.43 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.414 0.686 . . . . 25.0 110.418 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.98 89.08 Favored Glycine 0 C--O 1.227 -0.286 0 N-CA-C 114.825 0.69 . . . . 25.0 114.825 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -78.72 151.57 32.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -115.09 46.28 0.42 Allowed Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 118.886 2.921 . . . . 25.0 118.886 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.16 164.62 19.54 Favored 'Trans proline' 0 C--O 1.246 0.901 0 C-N-CA 116.7 -1.733 . . . . 25.0 113.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.4 t -100.22 162.14 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 173.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.77 -29.73 70.72 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.07 -31.71 70.66 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.19 -34.61 78.43 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 122.587 1.184 . . . . 25.0 108.62 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.3 mt -76.69 -28.35 55.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.148 -0.933 . . . . 25.0 110.28 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -66.4 -37.77 86.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 119.208 -0.425 . . . . 25.0 111.379 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.78 -29.01 65.1 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.282 0.946 . . . . 25.0 111.098 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.3 mtt -68.26 -29.9 68.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.123 0.487 . . . . 25.0 110.326 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.1 mt -77.06 -48.07 25.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 N-CA-C 108.952 -0.758 . . . . 25.0 108.952 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.2 mt -54.89 -33.42 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.02 -20.07 55.95 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.037 1.125 . . . . 25.0 114.037 177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.33 -7.02 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.41 59.09 4.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.761 0.791 . . . . 25.0 111.962 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -17.32 63.25 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -87.52 -10.79 50.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.88 14.54 75.81 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 115.218 0.847 . . . . 25.0 115.218 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.15 -3.6 58.99 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.808 1.41 . . . . 25.0 114.808 -174.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.9 10.64 85.43 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 116.503 1.361 . . . . 25.0 116.503 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.8 p -139.94 153.22 46.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.778 0.789 . . . . 25.0 110.672 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.14 104.06 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 106.822 -1.547 . . . . 25.0 106.822 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.59 165.19 25.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.03 -45.02 99.8 Favored Pre-proline 0 CA--C 1.548 0.9 0 N-CA-C 114.164 1.172 . . . . 25.0 114.164 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.02 -24.23 67.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 114.307 -3.329 . . . . 25.0 114.707 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.64 -31.01 52.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.659 -0.651 . . . . 25.0 109.458 178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -66.38 -39.28 88.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.01 -33.99 76.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.496 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 m -69.78 -34.76 74.18 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.067 -0.396 . . . . 25.0 110.67 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.8 ttm -64.64 -38.06 89.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 tpp -68.85 -38.2 79.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.002 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.16 86.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.873 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -67.86 -29.19 68.26 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 119.18 -1.008 . . . . 25.0 109.975 178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -78.21 -0.54 28.89 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.122 0.786 . . . . 25.0 113.122 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 99.3 mtp -67.79 -25.02 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.927 -0.483 . . . . 25.0 110.071 175.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.7 124.31 35.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 104.494 -2.41 . . . . 25.0 104.494 170.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.08 -18.2 64.15 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -170.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.5 t -71.64 -9.46 58.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.7 10.65 38.48 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.6 p -123.5 160.64 26.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 123.049 1.404 . . . . 25.0 114.602 -174.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -69.92 -17.89 63.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 112.764 -2.016 . . . . 25.0 111.661 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.71 -27.97 13.48 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -64.29 -45.06 89.67 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.737 0.699 . . . . 25.0 110.645 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.7 mt -66.3 -37.3 79.39 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.659 0 CA-C-O 123.681 1.705 . . . . 25.0 109.514 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -62.18 -40.54 96.36 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 120.656 -1.278 . . . . 25.0 111.637 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -73.12 -32.31 64.85 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.806 -1.184 . . . . 25.0 110.55 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.27 83.61 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.858 0.837 . . . . 25.0 108.78 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -69.41 -38.53 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.358 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.08 -16.67 62.26 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.45 -37.43 69.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -105.38 -46.5 4.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -82.57 81.42 8.37 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.691 0.758 . . . . 25.0 109.14 177.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -68.3 -35.11 77.34 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -174.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -77.77 -24.66 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.998 -0.281 . . . . 25.0 111.578 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.43 21.32 64.76 Favored Glycine 0 C--O 1.228 -0.277 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -75.87 0.88 16.64 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.39 1.095 . . . . 25.0 113.698 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.32 6.99 58.5 Favored Glycine 0 C--O 1.235 0.17 0 C-N-CA 121.512 -0.375 . . . . 25.0 112.831 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -141.56 136.36 31.02 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.871 0.367 . . . . 25.0 111.728 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.5 mt -99.5 106.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 105.752 -1.944 . . . . 25.0 105.752 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.7 p -75.78 162.51 28.12 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.382 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.92 74.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.88 92.79 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.059 -0.518 . . . . 25.0 111.352 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -68.33 -41.77 80.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.262 -0.274 . . . . 25.0 110.528 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.53 -43.9 92.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -36.96 79.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.649 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.05 -45.98 89.67 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.206 -0.308 . . . . 25.0 111.02 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.26 -46.0 92.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 121.174 0.511 . . . . 25.0 109.744 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.5 mtt -63.81 -39.12 93.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.1 m -61.13 -40.49 94.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.476 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -72.03 -24.49 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.82 0.343 . . . . 25.0 111.01 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mt -77.65 -14.43 59.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.953 0.406 . . . . 25.0 110.489 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.25 20.8 56.47 Favored Glycine 0 C--O 1.238 0.402 0 C-N-CA 121.262 -0.495 . . . . 25.0 111.934 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -69.23 158.66 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.352 0.596 . . . . 25.0 110.257 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -124.84 37.96 4.29 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.717 0.77 . . . . 25.0 111.198 -171.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.07 155.26 17.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.942 -1.481 . . . . 25.0 107.877 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.8 p -87.11 165.44 15.76 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.28 -37.02 76.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 25.0 110.637 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -70.53 -33.48 71.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.528 -0.306 . . . . 25.0 111.49 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.78 -34.87 78.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 25.0 110.545 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.52 -40.3 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 108.804 -0.813 . . . . 25.0 108.804 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.91 -37.93 89.27 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 116.071 -0.513 . . . . 25.0 110.713 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.45 -37.52 78.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.985 0.421 . . . . 25.0 110.781 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.58 81.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.98 -0.45 . . . . 25.0 111.005 177.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.32 -42.15 87.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -57.1 -32.27 66.13 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.12 -13.07 59.49 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -128.34 -0.91 5.68 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.85 76.81 9.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.787 0.803 . . . . 25.0 111.564 -175.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.9 -42.28 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.853 -175.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -88.64 -2.57 58.66 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.51 21.79 78.68 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 116.62 1.408 . . . . 25.0 116.62 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -87.53 2.73 49.91 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.029 1.492 . . . . 25.0 115.029 -176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.49 10.63 81.56 Favored Glycine 0 C--O 1.243 0.697 0 CA-C-O 121.537 0.521 . . . . 25.0 113.307 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.15 166.91 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.72 -0.474 . . . . 25.0 109.72 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.92 116.15 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 172.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -74.71 168.07 20.56 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.557 -1.645 . . . . 25.0 106.557 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.14 -45.14 87.9 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.867 -0.521 . . . . 25.0 112.043 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -41.17 87.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.586 0.708 . . . . 25.0 111.819 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.32 -34.92 77.55 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 115.503 -0.771 . . . . 25.0 110.298 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -65.54 -38.76 90.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.217 -0.302 . . . . 25.0 111.585 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.46 -38.67 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -66.25 -42.63 88.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.9 -0.5 . . . . 25.0 110.184 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.3 ttt -61.08 -31.33 71.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.682 0.393 . . . . 25.0 111.558 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.4 ttm -65.06 -20.09 66.32 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.2 0.444 . . . . 25.0 112.2 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 10.3 t -125.46 18.43 8.17 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.226 0.536 . . . . 25.0 110.846 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -96.85 162.93 13.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.979 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-N 114.887 -1.051 . . . . 25.0 112.299 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_