data_2mky_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mky _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.297 0.57 . . . . 72.33 110.643 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 4.9 mmmp? -136.4 146.78 46.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.346 0.593 . . . . 74.5 111.039 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.63 109.1 4.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 73.31 110.54 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -93.77 -27.61 16.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 75.02 109.512 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 HG21 ' A' ' 35' ' ' VAL . 57.0 mt -138.12 172.14 13.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.413 -0.812 . . . . 74.25 109.52 -176.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -137.73 114.61 10.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.735 0.302 . . . . 74.43 110.518 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.29 28.53 73.67 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 116.051 -0.522 . . . . 64.13 113.836 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 24' ' ' LEU . 8.9 mp -92.8 111.78 23.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.587 0.693 . . . . 75.41 109.479 173.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.33 178.0 4.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.473 -0.33 . . . . 74.34 110.424 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.77 -36.21 74.02 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.103 0.408 . . . . 75.04 112.103 -170.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -65.36 -37.4 86.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 75.22 110.856 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -83.97 -34.75 24.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.568 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -20.13 65.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.867 -0.606 . . . . 63.43 110.964 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.506 ' HA ' HG21 ' A' ' 36' ' ' ILE . 2.7 t-20 -60.52 -31.64 70.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.351 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' HG3' ' HH ' ' A' ' 75' ' ' TYR . 24.7 mm-40 -62.69 -47.91 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.367 0.603 . . . . 73.13 110.522 175.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.721 HG21 HD11 ' A' ' 24' ' ' LEU . 84.5 t -73.44 -45.05 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 74.23 111.492 -174.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG21 ' HA ' ' A' ' 33' ' ' ASN . 9.9 tp -62.78 -30.68 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 75.35 110.262 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.88 -51.22 58.02 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.282 -0.417 . . . . 75.13 111.497 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.52 ' O ' ' HD2' ' A' ' 42' ' ' HIS . 14.9 p -63.46 -33.08 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.682 0.277 . . . . 74.44 110.892 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.509 HD21 HG11 ' A' ' 38' ' ' VAL . 4.3 mm? -70.83 -52.5 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 63.42 110.556 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.28 -34.08 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 72.33 111.131 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 tpt -56.88 -33.98 67.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 74.14 111.53 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.52 ' HD2' ' O ' ' A' ' 38' ' ' VAL . 87.1 m-70 -94.44 7.62 44.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.706 -0.225 . . . . 73.21 111.08 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 58.47 55.7 4.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.401 0.619 . . . . 65.21 111.07 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.578 HD13 ' HB3' ' A' ' 64' ' ' ASP . 12.9 tt -120.61 151.33 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.469 -0.567 . . . . 71.15 109.469 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.57 98.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.388 0.43 . . . . 74.41 110.507 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.35 115.98 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.085 -0.507 . . . . 74.12 110.229 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -117.03 132.96 56.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.789 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 6.4 ttpm? -89.77 118.8 29.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 75.4 110.186 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.495 HD13 ' HB ' ' A' ' 59' ' ' THR . 26.2 pt -113.89 135.27 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 74.51 111.896 -175.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -109.95 139.96 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 73.21 110.076 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 66.8 m -158.41 169.8 23.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.994 -0.373 . . . . 61.13 109.994 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.67 -49.58 23.47 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.045 -0.598 . . . . 72.53 113.697 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.247 0.546 . . . . 61.42 110.707 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 6.1 tt -105.95 -40.48 5.68 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.507 -0.77 . . . . 74.51 111.61 -170.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.26 -111.23 3.27 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.85 -0.9 . . . . 73.4 110.85 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 20.6 m-85 -119.68 131.53 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.926 0.393 . . . . 73.31 110.115 172.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' HB2' HD23 ' A' ' 54' ' ' LEU . 66.5 m -150.0 174.24 12.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.792 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 36' ' ' ILE . 25.4 mm -116.94 124.72 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.768 -0.651 . . . . 75.33 109.903 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.495 ' HB ' HD13 ' A' ' 49' ' ' ILE . 5.5 t -114.86 162.19 17.23 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.957 -0.757 . . . . 63.15 108.957 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.42 HG23 ' HB1' ' A' ' 68' ' ' ALA . 32.4 m -132.43 174.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.626 -0.261 . . . . 73.25 110.552 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.82 137.44 12.51 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.581 0.551 . . . . 75.03 110.012 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 22.1 tt0 -55.0 -48.21 96.57 Favored Pre-proline 0 CA--C 1.545 0.759 0 N-CA-C 112.862 0.69 . . . . 75.35 112.862 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.0 Cg_exo -67.95 -22.08 42.61 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.957 1.772 . . . . 73.5 112.199 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.578 ' HB3' HD13 ' A' ' 44' ' ' ILE . 13.2 m-20 -89.77 11.79 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 75.23 111.316 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -50.67 -41.73 55.89 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.959 -0.564 . . . . 71.42 111.592 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -61.1 -36.21 79.07 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 63.14 111.708 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.37 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.592 0.234 . . . . 72.43 111.026 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.608 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.31 -56.24 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.738 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG11 ' HE2' ' A' ' 73' ' ' LYS . 28.5 t -63.27 -32.33 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.622 -0.717 . . . . 74.52 110.662 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -65.7 -41.48 92.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.91 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.51 ' O ' HG21 ' A' ' 74' ' ' THR . 5.3 m95 -74.03 -23.39 59.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 72.01 111.218 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 68' ' ' ALA . 42.3 mm -82.43 -11.92 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.514 . . . . 75.41 110.641 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HE2' HG11 ' A' ' 69' ' ' VAL . 74.7 mmtt -63.63 -25.23 68.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.215 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.51 HG21 ' O ' ' A' ' 71' ' ' TRP . 14.4 t -88.56 -2.25 58.49 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.971 0.415 . . . . 74.51 110.616 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.457 ' HH ' ' HG3' ' A' ' 34' ' ' GLU . 55.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.238 0.542 . . . . 74.12 110.315 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.72 0.295 . . . . 73.53 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HE3' ' OE2' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -119.69 126.43 51.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.095 0.474 . . . . 74.53 110.874 178.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.16 112.78 15.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 63.24 111.37 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 68' ' ' ALA . 9.0 mp -111.65 -63.92 1.35 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.838 0.351 . . . . 75.42 111.931 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 27' ' ' LEU . 58.9 mt -99.03 174.76 6.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 71.01 110.391 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -143.42 115.29 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 74.24 110.295 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.48 2.33 90.46 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.817 -0.706 . . . . 73.32 114.01 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 24' ' ' LEU . 7.7 mp -85.03 92.7 8.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.469 0.635 . . . . 71.15 110.438 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.589 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 18.2 t70 -63.22 167.38 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 71.22 110.033 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -53.0 -34.99 58.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.209 0.448 . . . . 64.11 112.209 -172.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.62 -34.49 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.641 0.258 . . . . 71.24 111.175 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -86.82 -38.1 17.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.358 0.599 . . . . 73.02 109.72 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.67 64.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.212 -0.904 . . . . 52.42 111.514 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -46.23 -45.41 16.98 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.665 0.603 . . . . 75.54 111.559 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.68 -41.81 95.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.195 0.521 . . . . 72.43 110.51 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 38' ' ' VAL . 58.4 t -65.95 -52.04 53.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.788 -0.642 . . . . 74.31 111.688 -177.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 tt -63.93 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.1 0.476 . . . . 65.23 110.887 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 64.43 111.614 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.9 p -71.3 -32.76 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.731 -0.388 . . . . 63.33 110.506 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.59 -50.63 64.39 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.725 -0.472 . . . . 73.2 109.725 175.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.83 -41.13 95.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 71.42 111.301 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -63.2 -38.48 91.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 72.41 111.184 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -87.34 7.4 29.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.613 -0.267 . . . . 71.55 111.287 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 31.59 20.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.376 0.608 . . . . 64.23 111.384 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 tt -104.26 132.53 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.226 -0.657 . . . . 65.25 109.226 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.88 134.12 49.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.353 0.597 . . . . 65.11 111.627 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.94 148.99 50.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.127 -0.942 . . . . 74.44 110.08 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -128.72 172.36 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.278 -0.419 . . . . 71.15 110.485 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -101.81 132.55 47.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 74.24 110.714 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.463 HG23 HG23 ' A' ' 59' ' ' THR . 3.0 pt -116.53 120.9 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.974 0.416 . . . . 74.12 111.453 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -103.06 128.91 49.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.76 -0.655 . . . . 63.4 110.244 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.5 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 42.5 m -151.97 153.49 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.512 -0.551 . . . . 63.03 109.512 176.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.81 -49.53 70.08 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.457 0.543 . . . . 64.53 114.457 -172.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -91.5 -11.0 38.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.695 0.748 . . . . 71.13 110.631 -178.032 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 36.8 tp -81.47 -48.56 11.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 53.23 110.822 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.17 -86.57 1.2 Allowed Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.536 -0.756 . . . . 51.23 111.602 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.589 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -139.78 127.53 21.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.665 0.269 . . . . 75.24 110.565 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.9 m -151.81 166.5 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.493 -0.322 . . . . 74.23 110.745 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.414 HG13 HG12 ' A' ' 35' ' ' VAL . 20.7 mm -99.35 127.75 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.009 -0.541 . . . . 73.43 109.751 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.463 HG23 HG23 ' A' ' 49' ' ' ILE . 13.3 t -114.28 158.99 20.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.916 0.389 . . . . 71.42 110.099 177.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 ' HB1' ' A' ' 68' ' ' ALA . 26.8 m -137.18 175.79 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.732 -0.667 . . . . 75.43 109.555 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.0 147.17 0.52 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.8 0.688 . . . . 63.13 111.141 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 21.3 tp10 -50.46 -54.17 37.83 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.881 0.697 . . . . 73.23 112.881 -169.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -85.44 -4.28 9.31 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.424 2.083 . . . . 52.53 113.298 -176.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.81 24.68 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.884 0.373 . . . . 64.21 111.567 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' HB2' ' HG2' ' A' ' 21' ' ' LYS . 79.3 t80 -60.92 -36.43 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 71.5 110.25 176.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -59.27 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 74.14 110.777 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.0 78.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.895 -0.593 . . . . 71.13 110.69 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.53 -49.48 72.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.593 . . . . 74.11 111.271 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.71 -36.14 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 63.43 111.226 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.3 -37.12 84.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.57 -0.286 . . . . 73.43 110.558 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -70.63 -29.49 65.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.019 0.438 . . . . 73.21 110.35 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -74.34 -31.0 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.189 0.519 . . . . 74.25 109.815 174.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.31 -35.8 81.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.24 110.4 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.3 p -75.63 -5.48 45.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.903 0.382 . . . . 74.1 111.605 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.415 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.055 0.455 . . . . 75.21 110.618 176.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.123 0.487 . . . . 73.44 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -75.44 120.69 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.957 -0.565 . . . . 63.23 110.102 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.52 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 15.4 p-10 -79.01 105.96 10.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.742 0.782 . . . . 74.1 110.912 -177.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 tp -79.75 -22.82 42.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.62 -1.173 . . . . 75.21 110.213 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.737 HD11 HG11 ' A' ' 35' ' ' VAL . 46.7 mt -135.13 160.51 38.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.56 -0.904 . . . . 71.01 108.56 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HE2' ' OD2' ' A' ' 22' ' ' ASP . 86.4 mttt -136.54 116.7 13.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.583 -0.447 . . . . 72.23 111.455 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.64 3.9 87.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.668 -0.696 . . . . 72.24 112.863 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD21 HD12 ' A' ' 24' ' ' LEU . 16.2 tp -77.84 135.74 37.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.302 -0.258 . . . . 71.31 110.302 -177.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.528 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 13.8 t70 -80.09 157.51 26.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.293 -0.412 . . . . 74.43 109.921 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.79 -32.53 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.539 -0.3 . . . . 72.44 111.28 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 11.6 pt-20 -67.19 -31.78 72.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.173 0.511 . . . . 71.23 110.699 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -86.69 -26.85 24.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 74.32 110.08 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.85 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.646 -0.706 . . . . 72.14 111.222 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.23 -39.6 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.345 . . . . 74.32 110.677 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.51 -29.31 67.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.46 . . . . 75.34 110.498 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.737 HG11 HD11 ' A' ' 24' ' ' LEU . 96.7 t -76.97 -50.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 71.31 110.708 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.422 ' HA ' HD21 ' A' ' 39' ' ' LEU . 14.9 tt -62.61 -22.6 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 71.43 110.505 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.03 79.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 52.21 111.541 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 35' ' ' VAL . 6.3 p -71.29 -29.21 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 121.032 0.444 . . . . 75.01 110.444 -177.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 36' ' ' ILE . 3.0 mm? -75.71 -48.42 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 74.04 110.035 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.49 -37.86 88.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 73.32 111.055 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.54 -34.98 76.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.258 -0.428 . . . . 75.21 111.07 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -92.06 3.12 55.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 72.04 111.193 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 60.05 38.39 20.62 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.147 -0.478 . . . . 71.31 111.845 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.0 tt -99.22 150.2 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.673 -0.492 . . . . 73.54 109.673 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.88 111.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 73.34 110.763 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.9 113.98 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.925 0.393 . . . . 64.22 110.605 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.92 149.81 27.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.361 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -97.63 137.29 36.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.686 0.279 . . . . 72.14 110.294 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.882 HD11 ' HB ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -117.72 130.59 72.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.279 -0.419 . . . . 64.03 110.854 178.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.76 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 53.3 111.258 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 55.8 m -158.14 157.61 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.69 -0.485 . . . . 75.32 109.69 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.07 67.25 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.934 -0.651 . . . . 75.11 112.375 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -9.65 46.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.117 0.484 . . . . 71.52 111.079 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.512 HD11 HD12 ' A' ' 49' ' ' ILE . 9.8 tt -113.9 -51.87 2.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.705 -0.679 . . . . 74.51 111.713 -166.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -113.32 3.84 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.624 -0.99 . . . . 74.12 110.624 -173.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -128.01 120.42 27.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.865 0.364 . . . . 74.22 110.129 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.442 ' HB2' HD21 ' A' ' 54' ' ' LEU . 62.2 m -136.58 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.131 0.491 . . . . 72.05 111.044 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mm -109.19 109.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.078 -0.965 . . . . 73.4 109.606 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.882 ' HB ' HD11 ' A' ' 49' ' ' ILE . 15.0 t -99.16 142.25 30.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.219 0.533 . . . . 64.35 110.132 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.07 173.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.426 -0.806 . . . . 61.23 109.237 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.99 144.09 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.275 0.36 . . . . 73.41 110.398 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 14.0 mp0 -53.69 -47.58 96.15 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.009 -0.541 . . . . 75.32 112.363 -176.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 16.7 Cg_endo -58.83 -39.81 78.14 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.934 1.756 . . . . 64.31 112.702 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.62 0.14 56.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.477 -0.329 . . . . 74.45 111.437 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.8 t80 -61.92 -31.53 71.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 72.45 110.658 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 t -59.84 -39.8 86.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 42.11 110.873 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.61 97.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.344 -0.389 . . . . 64.02 110.438 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.26 -39.46 82.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.942 -0.572 . . . . 63.04 110.636 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 65' ' ' PHE . 72.1 t -61.06 -44.07 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 72.11 110.62 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -61.84 -41.08 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 74.04 111.052 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -62.25 -45.65 92.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.753 0.311 . . . . 75.4 110.703 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 68' ' ' ALA . 40.4 mm -68.55 -34.26 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 64.43 110.499 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 55.1 mmtt -64.98 -16.8 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 64.44 111.307 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m -90.01 -20.53 23.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.246 0.546 . . . . 74.32 110.299 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.13 176.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.711 0.291 . . . . 72.34 111.19 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.2 117.09 29.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.987 0.422 . . . . 72.1 111.568 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.826 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 1.8 m-20 -60.86 105.83 0.51 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.466 -0.788 . . . . 74.03 110.676 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -90.23 -62.45 1.46 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.331 0.586 . . . . 62.05 109.878 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 27' ' ' LEU . 34.8 mt -112.16 138.55 48.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.532 -0.758 . . . . 73.41 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.826 ' HD2' ' HB3' ' A' ' 22' ' ' ASP . 3.7 mppt? -124.83 116.89 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.647 0.26 . . . . 74.14 110.862 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.92 8.42 51.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.845 -0.693 . . . . 65.52 112.895 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD21 HD11 ' A' ' 24' ' ' LEU . 7.5 mp -102.36 131.06 49.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 74.3 111.0 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -82.53 170.99 14.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.111 -0.7 . . . . 52.14 109.111 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.986 0.365 . . . . 74.45 111.986 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.823 0.344 . . . . 63.23 111.121 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -86.12 -41.23 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 70.1 109.721 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.98 -18.46 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.459 -0.791 . . . . 71.21 110.713 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HA ' HG23 ' A' ' 36' ' ' ILE . 24.4 t-20 -51.65 -39.02 57.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.783 -0.644 . . . . 74.13 110.877 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.48 -35.79 70.65 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.628 -0.715 . . . . 73.34 111.005 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 24' ' ' LEU . 88.1 t -87.64 -49.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.387 -0.824 . . . . 71.4 111.511 -174.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.508 HG23 ' HA ' ' A' ' 33' ' ' ASN . 13.5 tt -57.36 -33.62 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.803 0.335 . . . . 74.25 111.389 -175.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.16 81.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 63.14 110.775 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -62.82 -46.8 95.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.76 -0.655 . . . . 63.5 111.098 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.504 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.3 mm? -63.71 -47.85 79.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.09 -0.505 . . . . 73.32 110.702 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 45.8 mt-30 -63.98 -32.13 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 61.13 110.556 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -64.55 -29.96 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 73.31 111.128 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -97.48 6.13 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.352 -0.385 . . . . 74.01 111.313 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t30 54.2 43.18 30.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.639 -0.71 . . . . 70.31 110.759 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.429 HG23 HD11 ' A' ' 39' ' ' LEU . 12.5 tt -102.96 138.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.798 -0.816 . . . . 65.14 108.798 174.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.27 109.0 2.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.056 -0.52 . . . . 71.43 111.495 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' HG22 ' A' ' 58' ' ' ILE . . . -104.52 131.01 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.863 -0.608 . . . . 74.55 110.917 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.522 ' HB2' HG23 ' A' ' 59' ' ' THR . 41.4 m-80 -111.51 154.61 24.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 73.33 109.577 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -100.9 113.88 27.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.816 0.341 . . . . 71.21 110.789 -172.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.648 HD11 ' HB ' ' A' ' 59' ' ' THR . 11.4 pt -115.59 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 74.33 111.052 177.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.64 141.45 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.348 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.429 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 70.2 m -162.22 165.35 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.995 -0.372 . . . . 72.43 109.995 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.37 -43.06 71.82 Favored Glycine 0 C--O 1.23 -0.139 0 C-N-CA 120.729 -0.748 . . . . 75.2 111.851 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HZ2' ' CG ' ' A' ' 22' ' ' ASP . 26.2 pttt -70.31 -15.04 62.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.14 0.495 . . . . 64.43 111.369 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 28.7 tp -113.93 -47.19 2.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.817 -0.628 . . . . 75.01 112.102 -164.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.76 -122.57 6.58 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.854 -1.298 . . . . 73.12 109.854 -169.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.03 118.36 26.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.236 -0.653 . . . . 73.31 109.236 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.64 164.2 18.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 73.4 111.594 -172.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.504 HG21 ' HG ' ' A' ' 39' ' ' LEU . 37.6 mm -106.93 103.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.416 -0.811 . . . . 74.43 109.868 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.648 ' HB ' HD11 ' A' ' 49' ' ' ILE . 13.2 t -99.2 134.07 42.59 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.231 -0.655 . . . . 75.42 109.231 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -113.76 175.86 2.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.496 -0.557 . . . . 75.41 109.496 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 64' ' ' ASP . . . -44.39 137.89 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.739 0.649 . . . . 72.22 110.664 176.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.9 tp10 -52.17 -52.6 60.85 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.534 0.568 . . . . 75.11 112.534 -170.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 11.8 Cg_exo -72.46 -19.34 25.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.958 1.772 . . . . 64.24 112.163 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.543 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . 14.0 m-20 -90.48 2.14 56.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 71.21 111.209 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -60.65 -27.92 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.413 . . . . 74.41 110.129 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 3.8 t -56.05 -41.32 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.633 -0.712 . . . . 74.21 110.875 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.3 69.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 72.43 110.825 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.46 -46.16 66.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.879 -0.6 . . . . 73.15 111.386 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.25 -42.29 86.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.212 -0.449 . . . . 75.51 111.39 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.409 ' HD2' ' O ' ' A' ' 66' ' ' THR . 60.7 m-85 -77.19 -22.34 52.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.33 -0.395 . . . . 75.51 112.035 -176.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 1.6 m95 -70.59 -33.53 71.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.694 -0.484 . . . . 74.02 109.694 174.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 68' ' ' ALA . 26.2 mm -67.87 -25.35 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.357 0.598 . . . . 72.32 109.827 176.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 70' ' ' TYR . 74.0 mmtt -65.53 -16.7 63.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.587 -0.733 . . . . 75.5 111.32 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -89.76 -4.3 57.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.507 . . . . 74.42 110.593 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 121.279 0.562 . . . . 65.11 109.702 177.229 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 121.428 0.632 . . . . 72.33 110.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.78 123.62 38.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.336 -0.616 . . . . 75.12 109.336 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -74.67 104.46 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.599 -0.519 . . . . 74.42 109.599 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -96.4 -31.49 12.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.033 -0.531 . . . . 74.21 110.395 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD11 HG13 ' A' ' 35' ' ' VAL . 47.3 mt -128.0 162.38 26.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.53 -0.915 . . . . 61.13 108.53 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -135.43 115.79 13.54 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.704 -0.398 . . . . 73.24 111.412 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.09 10.03 86.52 Favored Glycine 0 CA--C 1.52 0.369 0 CA-C-N 115.97 -0.559 . . . . 73.24 114.188 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD23 HD12 ' A' ' 24' ' ' LEU . 9.5 mp -78.45 155.75 29.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.412 0.625 . . . . 73.03 111.813 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -98.63 170.62 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.237 -0.892 . . . . 65.31 110.538 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -46.16 71.16 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.559 0.743 . . . . 73.43 112.04 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.66 -29.87 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.317 . . . . 72.4 111.267 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.43 -41.09 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.368 0.604 . . . . 75.44 109.756 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.64 -20.67 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.504 -0.771 . . . . 64.52 110.801 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.61 -43.98 96.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 74.43 110.392 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.51 -40.96 93.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 72.2 110.286 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.629 HG13 HD11 ' A' ' 24' ' ' LEU . 45.9 t -65.37 -49.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 75.5 111.254 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.3 tt -63.25 -29.32 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.703 -0.226 . . . . 74.43 110.808 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.013 0.435 . . . . 55.4 110.135 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.01 -43.48 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 75.13 110.48 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.74 -45.96 73.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 63.43 110.577 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.77 -41.58 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 73.33 111.595 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ptp -70.74 -13.49 62.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 71.12 110.667 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -97.24 1.2 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.452 -0.34 . . . . 75.24 110.124 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 61.15 28.19 17.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 73.21 111.947 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 64' ' ' ASP . 9.5 tt -97.19 149.42 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 74.04 110.224 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.38 104.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 71.13 110.47 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.51 129.01 56.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 75.02 110.925 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -116.92 151.17 37.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 65.23 109.743 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.29 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.395 -0.366 . . . . 75.23 110.202 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 pt -96.87 116.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.347 0.594 . . . . 65.42 111.026 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.99 104.51 13.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.236 -0.893 . . . . 71.41 109.743 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -142.84 142.99 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 73.23 110.379 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.03 -29.72 75.24 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.3 -0.476 . . . . 44.43 113.152 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 54' ' ' LEU . 44.3 pttt -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 74.41 111.499 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 16.1 tp -113.63 -30.92 6.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 53.01 112.113 -165.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.93 -117.51 5.61 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.541 -0.838 . . . . 74.03 111.074 -175.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -122.89 121.6 36.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 72.44 110.049 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m -149.47 166.67 28.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.01 0.433 . . . . 73.25 111.056 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.2 mm -99.41 152.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.67 . . . . 72.21 109.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 t -145.16 162.62 36.63 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.005 -0.739 . . . . 64.11 109.005 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 m -125.98 173.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.604 0.24 . . . . 51.24 110.542 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 169.19 6.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.031 -0.532 . . . . 65.43 110.573 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 1.5 mp0 -57.01 -54.07 58.48 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 112.447 0.536 . . . . 74.32 112.447 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 7.9 Cg_exo -73.05 -21.43 20.64 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.313 2.009 . . . . 70.44 112.79 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.568 ' HB3' HD13 ' A' ' 44' ' ' ILE . 3.6 m-20 -90.2 7.06 40.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.114 -0.494 . . . . 71.5 111.457 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.08 -39.62 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 73.15 111.947 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -68.4 -24.96 64.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.378 -0.374 . . . . 54.44 111.754 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -38.46 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.323 -0.235 . . . . 74.21 111.123 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.01 -40.57 67.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.95 -0.568 . . . . 70.32 111.823 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.02 -49.1 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 53.02 111.459 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.18 -27.96 63.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.383 -0.371 . . . . 74.21 111.821 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 2.4 m95 -73.24 -35.75 66.31 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.604 -0.438 . . . . 73.24 110.252 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.3 mm -73.01 -33.61 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 53.54 110.009 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -59.75 -24.42 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.789 -0.641 . . . . 72.32 110.424 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -93.53 -9.28 38.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.979 -0.555 . . . . 73.42 111.002 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.431 -0.349 . . . . 75.24 110.595 -178.22 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 121.272 0.558 . . . . 62.02 110.683 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.39 131.05 38.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.646 -0.706 . . . . 70.11 109.677 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.98 105.28 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.381 -0.6 . . . . 60.03 109.381 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 tp -94.64 -39.31 10.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 75.5 110.983 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD11 HG13 ' A' ' 35' ' ' VAL . 82.6 mt -121.16 161.78 21.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.526 -0.546 . . . . 73.22 109.526 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -124.82 115.95 21.49 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.886 -0.326 . . . . 71.34 110.959 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.63 46.88 80.62 Favored Glycine 0 C--N 1.33 0.227 0 O-C-N 123.82 0.7 . . . . 65.15 113.73 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 33.6 tp -113.22 128.04 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.911 -0.404 . . . . 72.44 109.911 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -78.74 157.84 28.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.689 0.281 . . . . 74.14 110.557 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.531 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 52.9 tt0 -60.73 -30.32 69.91 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 74.42 112.224 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.8 -42.02 88.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.896 0.379 . . . . 74.23 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -87.11 -27.29 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.09 0.472 . . . . 74.44 110.634 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -65.69 -19.81 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.977 -0.556 . . . . 64.55 110.928 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.27 -38.69 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 72.33 110.78 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -72.5 -22.39 61.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 72.45 110.652 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.606 ' O ' HG11 ' A' ' 38' ' ' VAL . 61.2 t -88.92 -51.56 12.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.71 -0.677 . . . . 72.31 110.884 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.11 -26.15 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 72.33 111.335 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.25 85.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 75.21 111.526 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.606 HG11 ' O ' ' A' ' 35' ' ' VAL . 5.5 p -73.05 -20.01 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.941 0.4 . . . . 65.44 110.862 -176.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' HG23 ' A' ' 58' ' ' ILE . 3.1 mm? -83.29 -58.66 2.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 63.03 110.156 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.75 -43.62 98.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.669 -0.696 . . . . 64.31 112.004 -172.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.26 -26.85 68.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 73.3 111.486 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -96.77 6.57 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.835 0.35 . . . . 74.02 110.675 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.7 m120 62.25 27.27 16.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.589 -0.732 . . . . 73.03 112.522 172.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.2 tt -84.68 151.93 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 72.01 108.738 172.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 60' ' ' VAL . 9.0 tp10 -54.26 100.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.846 0.355 . . . . 74.24 110.488 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -111.7 114.02 26.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.184 -0.462 . . . . 72.23 110.619 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.595 ' HB3' HG22 ' A' ' 59' ' ' THR . 15.2 t-20 -123.7 155.61 37.51 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.236 -0.654 . . . . 71.14 109.236 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -111.69 111.65 22.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 74.22 110.633 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.402 HG22 ' CG2' ' A' ' 59' ' ' THR . 8.3 pt -99.0 130.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 64.34 111.365 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.39 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.659 -0.7 . . . . 64.34 109.166 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.6 m -148.87 151.96 35.62 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.223 -0.288 . . . . 72.5 110.223 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.15 99.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.138 -0.553 . . . . 72.02 112.965 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -82.66 -11.74 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 75.0 111.087 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 15.0 tp -113.98 -50.2 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.262 -0.426 . . . . 75.44 112.052 -166.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.1 -105.38 3.27 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.827 -0.701 . . . . 51.32 111.774 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.554 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 73.5 m-85 -116.89 122.85 45.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.739 0.304 . . . . 74.41 110.594 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.5 m -150.08 160.24 43.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.99 0.424 . . . . 73.12 110.959 174.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.471 HG23 ' HG ' ' A' ' 39' ' ' LEU . 24.3 mm -102.16 130.31 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.592 -0.731 . . . . 54.32 109.343 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.595 HG22 ' HB3' ' A' ' 47' ' ' ASN . 11.1 t -116.92 143.49 45.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.071 0.462 . . . . 70.1 109.859 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 45' ' ' GLU . 33.8 m -114.26 173.09 3.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.423 -0.808 . . . . 62.41 109.187 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -60.5 152.38 26.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.748 -0.464 . . . . 71.2 109.748 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.548 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.3 tt0 -52.8 -51.45 73.94 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 74.13 112.771 -173.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 12.9 Cg_exo -70.66 -13.56 32.52 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 75.2 112.786 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.438 ' OD2' ' HB1' ' A' ' 61' ' ' ALA . 32.7 m-20 -97.13 2.41 51.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 73.23 111.346 -175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.63 -34.41 74.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.383 . . . . 73.43 110.943 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -58.68 -32.84 69.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.883 -0.599 . . . . 74.3 111.425 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.31 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.318 . . . . 73.43 110.56 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.563 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.02 -50.06 69.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 55.3 111.003 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.442 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 57.7 t -61.32 -38.2 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 70.15 110.665 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.58 -38.82 92.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 72.33 110.615 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -69.54 -37.54 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.902 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 68' ' ' ALA . 36.3 mm -65.76 -28.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 53.21 110.045 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 71.1 mmtt -70.99 -17.17 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 71.24 111.199 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 m -86.23 -8.89 57.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.229 0.538 . . . . 73.15 110.477 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.0 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 74.53 109.765 176.691 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 112.385 0.513 . . . . 75.52 112.385 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HE3' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -85.5 116.17 23.65 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.547 -0.461 . . . . 75.23 110.193 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -69.89 124.83 25.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.119 -0.491 . . . . 71.44 110.844 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD22 ' HB ' ' A' ' 58' ' ' ILE . 45.2 tp -106.5 -23.34 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 75.33 110.294 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.736 HD11 HG11 ' A' ' 35' ' ' VAL . 44.3 mt -140.08 160.42 39.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.009 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -129.24 115.68 18.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.708 0.289 . . . . 64.4 110.892 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.28 51.72 52.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.121 -0.561 . . . . 73.12 113.549 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 24' ' ' LEU . 8.6 mp -109.85 149.85 29.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.941 0.4 . . . . 70.1 110.187 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.14 172.8 7.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.962 -0.563 . . . . 73.54 110.038 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -58.87 -39.47 81.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.386 -0.37 . . . . 63.54 111.324 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.7 -30.9 71.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 71.25 111.076 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -78.24 -42.69 30.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 73.3 109.972 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.47 -20.1 66.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 64.35 111.398 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -57.48 -44.74 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 73.44 110.993 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -74.62 -33.32 62.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.205 0.526 . . . . 71.42 110.223 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.736 HG11 HD11 ' A' ' 24' ' ' LEU . 76.3 t -66.55 -50.71 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.544 -0.753 . . . . 71.32 111.459 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 tt -67.28 -23.8 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.963 0.411 . . . . 72.13 110.649 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.65 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 74.32 111.516 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 35' ' ' VAL . 8.6 p -71.28 -29.63 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.79 0.329 . . . . 74.32 110.824 -177.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 HG12 ' A' ' 38' ' ' VAL . 3.4 mm? -71.31 -51.75 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 60.13 110.048 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.73 -31.22 72.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 74.44 110.616 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.2 ttt -58.81 -34.82 71.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.574 . . . . 74.33 110.887 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -96.55 16.69 18.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.303 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 m120 62.89 19.33 11.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.913 0.709 . . . . 75.54 112.913 171.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.7 tt -97.67 129.57 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.524 -0.547 . . . . 72.42 109.524 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -66.76 122.6 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 71.43 111.339 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.58 128.99 55.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.119 -0.946 . . . . 63.13 110.512 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.41 ' HB2' HG22 ' A' ' 59' ' ' THR . 11.9 m120 -107.27 175.94 5.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.74 -0.664 . . . . 71.44 110.165 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -111.04 121.44 45.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.117 -0.492 . . . . 75.13 111.148 -173.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG21 ' CG2' ' A' ' 59' ' ' THR . 3.7 pt -109.19 106.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.093 0.473 . . . . 74.2 109.841 170.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.44 142.35 40.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.63 -0.714 . . . . 73.4 110.532 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.466 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 50.7 m -154.69 159.67 40.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 70.33 109.746 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.44 97.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.115 -0.564 . . . . 74.24 112.818 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 5.1 tptm -90.05 -39.44 12.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.657 0.265 . . . . 73.32 111.089 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 17.9 tp -70.41 -32.44 70.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.43 -0.35 . . . . 74.34 111.268 -174.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.36 -129.12 9.13 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.734 -0.745 . . . . 75.42 111.591 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.72 119.36 38.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.896 0.379 . . . . 70.13 110.058 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -136.88 158.85 43.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.377 -0.374 . . . . 75.41 110.343 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.426 ' HB ' HD22 ' A' ' 23' ' ' LEU . 42.4 mm -101.38 126.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.596 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.45 ' CG2' HG21 ' A' ' 49' ' ' ILE . 10.3 t -113.08 136.54 52.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.741 -0.837 . . . . 64.21 108.741 170.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 68' ' ' ALA . 34.7 m -113.47 175.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 109.159 -0.682 . . . . 75.42 109.159 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.99 114.22 0.58 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.918 -0.771 . . . . 53.32 108.918 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.44 -44.21 98.62 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.021 0.748 . . . . 64.42 113.021 -168.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.77 -17.71 56.5 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.914 1.743 . . . . 74.44 112.844 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.3 16.91 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.429 -0.351 . . . . 64.11 110.97 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -59.71 -27.7 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.047 0.451 . . . . 73.32 110.669 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -55.59 -37.68 68.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.738 -0.665 . . . . 74.44 111.115 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.71 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.373 -0.376 . . . . 74.55 110.429 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.65 -50.49 65.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.993 -0.549 . . . . 63.03 110.814 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.62 -42.37 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.821 -0.627 . . . . 74.35 110.896 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -66.11 -40.04 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 75.33 111.156 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.405 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.4 m95 -69.27 -44.18 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.955 -0.298 . . . . 64.24 110.647 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.514 ' CD1' HG12 ' A' ' 35' ' ' VAL . 41.9 mm -68.98 -27.69 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.1 110.943 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 12.7 tppt? -64.83 -22.85 67.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.262 0.553 . . . . 71.34 110.162 177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 m -90.55 -9.02 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.551 -0.75 . . . . 74.35 110.673 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--N 1.33 -0.241 0 N-CA-C 109.571 -0.529 . . . . 74.01 109.571 175.347 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.0 0.429 . . . . 74.13 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -79.38 123.0 27.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.221 -0.445 . . . . 72.41 109.868 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.543 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 5.1 p-10 -77.57 124.56 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.442 0.639 . . . . 73.13 110.551 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -95.37 -24.0 16.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.32 -0.854 . . . . 73.54 110.845 -176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 27' ' ' LEU . 50.7 mt -127.69 167.78 15.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 73.33 110.035 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.624 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.3 mmpt? -118.28 115.44 24.72 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 122.91 0.131 . . . . 74.2 111.327 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 54' ' ' LEU . . . 49.32 66.51 2.18 Favored Glycine 0 C--N 1.335 0.514 0 O-C-N 123.615 0.572 . . . . 44.34 114.52 172.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 24' ' ' LEU . 3.8 mp -113.38 139.43 48.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.959 0.409 . . . . 74.33 111.305 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 17.6 t70 -78.97 165.13 23.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.804 -0.635 . . . . 71.44 109.436 174.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -56.92 -38.33 72.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.626 -0.261 . . . . 75.51 111.548 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 6.8 pt-20 -67.36 -37.8 83.77 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.959 -0.296 . . . . 75.42 111.1 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.79 -37.47 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.996 0.427 . . . . 74.14 110.549 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.94 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 53.44 111.082 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.542 ' HA ' HG23 ' A' ' 36' ' ' ILE . 27.8 t-20 -60.26 -35.99 76.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.147 -0.478 . . . . 65.33 110.608 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.6 -37.99 85.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 65.41 110.716 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.508 HG11 HD11 ' A' ' 24' ' ' LEU . 88.9 t -81.78 -46.32 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.63 . . . . 75.31 111.348 -176.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.542 ' HB ' HD11 ' A' ' 58' ' ' ILE . 16.0 tt -62.49 -29.29 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.717 0.294 . . . . 71.35 110.912 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.26 98.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.198 -0.455 . . . . 72.02 110.154 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.417 HG12 ' CE1' ' A' ' 42' ' ' HIS . 4.7 t -61.73 -48.54 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.559 . . . . 72.22 110.945 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HG ' HG22 ' A' ' 58' ' ' ILE . 4.4 mm? -55.48 -52.78 62.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.593 0.235 . . . . 71.51 110.955 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 13.3 mm-40 -68.48 -30.08 68.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.715 0.265 . . . . 74.35 111.715 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.9 tpt -69.76 -19.8 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 65.21 110.529 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.417 ' CE1' HG12 ' A' ' 38' ' ' VAL . 64.4 m80 -98.29 7.04 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 75.21 110.505 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 59.83 31.26 20.68 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.637 -0.71 . . . . 71.2 112.097 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.74 144.95 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.989 -0.374 . . . . 72.05 109.989 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.77 132.68 53.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.009 -0.541 . . . . 73.34 111.042 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.86 114.74 19.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.535 -0.757 . . . . 74.54 109.631 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.96 154.9 19.49 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.583 -0.525 . . . . 73.42 109.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -95.96 144.28 26.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.875 0.369 . . . . 74.14 110.396 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 22' ' ' ASP . 1.2 pt -120.2 89.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 44.11 109.828 171.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -83.48 117.17 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.543 -0.753 . . . . 73.15 110.53 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -154.2 140.24 18.34 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.393 -0.822 . . . . 71.32 109.852 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.82 80.21 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 121.106 -0.568 . . . . 73.54 112.398 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -63.49 -26.81 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.595 0.358 . . . . 74.04 111.856 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 57' ' ' SER . 43.9 tp -114.68 -52.39 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 61.13 112.492 -169.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.9 -115.15 4.57 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.604 -0.998 . . . . 61.21 110.604 -171.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.06 122.08 31.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.075 0.464 . . . . 74.4 110.822 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.569 ' HB2' HD21 ' A' ' 54' ' ' LEU . 68.0 m -149.71 170.77 17.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 63.3 110.369 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.542 HD11 ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -95.49 143.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.206 -0.452 . . . . 53.43 110.635 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.472 HG22 HG21 ' A' ' 49' ' ' ILE . 5.3 t -135.91 163.13 30.97 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.794 -0.817 . . . . 74.01 108.794 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.51 172.91 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.77 0.319 . . . . 73.04 110.773 -176.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.532 ' HB2' ' OD1' ' A' ' 64' ' ' ASP . . . -68.86 160.48 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 74.53 110.108 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -53.9 -52.51 67.23 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.442 0.534 . . . . 72.1 112.442 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.59 -8.17 20.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.834 1.69 . . . . 72.32 113.166 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.532 ' OD1' ' HB2' ' A' ' 61' ' ' ALA . 10.1 m-20 -98.76 -0.23 43.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 73.34 110.408 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.81 -47.42 77.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.81 -0.632 . . . . 65.11 111.782 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -61.65 -37.26 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 75.35 111.45 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.63 94.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 74.03 110.844 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.538 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.8 -41.8 74.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 71.23 110.927 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 61.2 t -61.2 -46.97 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 75.33 111.073 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -60.71 -41.02 94.41 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.317 -0.402 . . . . 74.53 111.44 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -68.55 -39.14 81.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.59 -0.277 . . . . 75.01 110.787 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.0 mm -65.58 -38.65 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.653 -0.249 . . . . 74.31 111.016 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 42.0 mtmt -58.8 -33.22 70.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.517 . . . . 75.34 110.511 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -86.4 -15.87 39.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.589 -0.732 . . . . 60.04 110.551 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.721 -0.672 . . . . 75.34 110.974 179.44 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.531 ' HA ' HG21 ' A' ' 49' ' ' ILE . 1.9 m-20 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 111.9 0.333 . . . . 73.51 111.9 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -101.7 113.82 27.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.233 -1.025 . . . . 72.44 108.233 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.62 106.17 14.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.814 0.816 . . . . 74.23 111.156 -172.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.984 HD23 HG13 ' A' ' 72' ' ' ILE . 58.8 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.884 -1.053 . . . . 60.54 110.007 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 57' ' ' SER . 51.2 mt -92.36 164.84 13.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 73.42 109.766 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -140.46 115.8 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.162 -0.31 . . . . 73.43 110.162 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 25.7 62.04 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.848 -0.691 . . . . 73.34 113.683 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD22 HD11 ' A' ' 24' ' ' LEU . 10.1 mp -102.66 151.74 22.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.177 0.488 . . . . 73.33 110.909 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -101.46 176.12 5.34 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.172 -0.677 . . . . 62.35 109.172 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -62.73 -37.1 85.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.444 0.298 . . . . 75.13 110.808 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.17 -37.67 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 73.42 111.577 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.442 ' HG3' HD21 ' A' ' 27' ' ' LEU . 52.8 tp60 -86.59 -33.32 20.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 71.34 110.406 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.69 69.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 71.53 110.533 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 74.51 110.963 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.49 -29.23 66.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.533 . . . . 74.03 110.33 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.653 HG11 HD13 ' A' ' 72' ' ' ILE . 78.3 t -77.67 -51.43 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.377 -0.828 . . . . 65.01 110.933 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HA ' HD21 ' A' ' 39' ' ' LEU . 14.3 tt -65.38 -20.76 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.025 0.441 . . . . 74.41 110.711 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.09 77.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 55.3 111.274 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 35' ' ' VAL . 5.3 p -74.59 -27.93 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.863 -0.335 . . . . 75.32 110.528 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD21 ' HA ' ' A' ' 36' ' ' ILE . 3.1 mm? -73.52 -43.91 58.94 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.506 -0.553 . . . . 64.13 109.506 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.78 -44.55 93.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.616 -0.72 . . . . 73.12 110.389 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.8 tpt -68.6 -20.71 64.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 73.21 110.731 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -93.89 2.41 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.873 0.368 . . . . 65.51 110.18 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 62.58 33.36 15.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.526 -0.761 . . . . 75.25 111.942 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 tt -113.73 131.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.958 -0.386 . . . . 64.11 109.958 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.48 130.99 38.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.356 0.598 . . . . 71.14 111.098 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 151.8 35.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 71.13 110.423 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -105.89 163.2 12.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.376 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -104.3 125.32 50.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.104 -0.498 . . . . 72.11 110.901 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 20' ' ' ASP . 6.9 pt -115.13 102.69 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.221 0.534 . . . . 75.0 110.626 174.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -100.41 128.85 46.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.675 -0.693 . . . . 64.13 110.616 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 44.7 m -152.85 152.41 31.53 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.204 -0.665 . . . . 74.02 109.204 176.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.09 -46.61 94.2 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.047 -0.597 . . . . 71.1 113.345 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -78.06 -10.26 59.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 75.2 111.127 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 41.5 tp -105.62 -46.53 4.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 74.3 111.334 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.9 -128.56 8.99 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.475 -0.65 . . . . 63.22 111.475 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -106.69 119.49 39.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.911 0.386 . . . . 75.22 110.247 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 24' ' ' LEU . 53.6 m -139.96 155.89 46.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.114 -0.493 . . . . 62.14 110.915 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.97 134.73 32.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 75.41 109.885 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 t -130.98 161.85 31.03 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.934 -0.395 . . . . 63.12 109.934 174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -141.92 173.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.406 -0.59 . . . . 74.12 109.406 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.27 140.78 16.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.459 0.474 . . . . 63.23 110.517 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.563 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 2.6 mp0 -45.38 -52.18 23.22 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.218 0.821 . . . . 74.22 113.218 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 15.3 Cg_exo -68.96 -23.95 33.94 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.985 1.79 . . . . 75.13 112.683 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -87.56 2.49 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 74.15 111.074 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -57.57 -36.41 71.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.903 -0.59 . . . . 73.52 110.954 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -60.07 -28.91 68.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.853 -0.612 . . . . 74.52 111.483 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.56 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 73.32 110.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.68 -49.3 70.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.885 -0.598 . . . . 72.44 110.908 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.29 -40.55 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.509 . . . . 70.24 110.775 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -64.27 -47.59 78.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 74.4 111.063 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -67.42 -40.48 85.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 75.14 111.047 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.984 HG13 HD23 ' A' ' 23' ' ' LEU . 39.9 mm -71.71 -31.22 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.855 0.359 . . . . 73.13 110.97 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.03 -25.46 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.332 0.587 . . . . 75.31 110.063 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -77.34 -24.85 50.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 74.55 110.634 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.3 t80 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 73.43 110.893 -179.38 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 114.497 1.295 . . . . 61.25 114.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -54.05 116.53 2.63 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.465 0.306 . . . . 75.44 111.13 -172.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.675 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 p-10 -75.38 125.41 28.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.618 -0.719 . . . . 72.33 110.536 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 tp -92.5 -20.03 21.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.408 -0.815 . . . . 71.52 110.166 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD13 HG11 ' A' ' 35' ' ' VAL . 29.4 mt -142.58 152.79 42.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.386 -0.824 . . . . 74.12 109.837 -173.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -131.62 116.61 17.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 72.15 110.588 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.44 19.6 54.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.836 -0.697 . . . . 73.11 113.053 174.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.584 ' HG ' ' OE1' ' A' ' 31' ' ' GLN . 8.7 mp -100.76 146.13 27.63 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.594 -0.357 . . . . 73.13 110.5 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -101.83 178.36 4.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 74.14 110.352 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -59.83 -38.61 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 70.22 110.631 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.75 -31.07 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.93 -0.577 . . . . 71.23 111.318 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.584 ' OE1' ' HG ' ' A' ' 27' ' ' LEU . 78.8 mt-30 -87.08 -41.42 13.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.171 0.51 . . . . 73.24 110.307 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.32 -19.19 65.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 74.33 111.237 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -54.74 -36.82 65.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 73.23 111.594 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.41 -37.73 36.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.307 0.575 . . . . 71.43 110.162 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.559 HG11 HD13 ' A' ' 24' ' ' LEU . 90.6 t -60.38 -52.06 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 64.45 111.472 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 tt -73.15 -19.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.82 0.343 . . . . 75.03 110.937 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.05 96.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 74.14 111.147 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 35' ' ' VAL . 7.2 p -73.9 -26.68 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.056 0.455 . . . . 72.32 110.34 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.499 HD11 HG12 ' A' ' 38' ' ' VAL . 10.8 mp -73.54 -46.44 47.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.419 176.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.6 -36.19 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 75.31 111.217 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -64.68 -35.69 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.037 0.446 . . . . 74.54 110.784 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -87.92 -6.65 57.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.342 -0.39 . . . . 72.33 111.071 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 61.06 31.71 19.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.543 0.687 . . . . 65.1 110.947 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.1 tt -82.86 145.93 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.145 -0.687 . . . . 74.21 109.145 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.81 110.34 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.025 0.44 . . . . 72.11 110.847 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.32 123.42 43.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.963 -0.562 . . . . 64.52 110.607 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.553 ' HB2' HG21 ' A' ' 59' ' ' THR . 11.0 m120 -105.88 158.15 16.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.655 -0.869 . . . . 74.44 108.655 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -114.98 137.98 51.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.742 -0.383 . . . . 73.22 111.275 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.728 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.1 pt -137.64 127.55 36.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.22 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' C ' ' HG ' ' A' ' 51' ' ' SER . 7.4 t70 -110.56 132.58 54.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.971 -0.559 . . . . 73.13 109.976 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 57.7 m -156.33 159.64 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.223 -0.288 . . . . 74.21 110.223 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.12 -44.55 87.06 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.884 -0.674 . . . . 65.41 112.196 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -67.43 -15.72 63.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.08 0.467 . . . . 74.01 111.527 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 22' ' ' ASP . 2.6 tt -113.5 -42.66 3.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.985 -0.552 . . . . 74.24 112.363 -167.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 -115.2 4.39 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.921 -0.871 . . . . 72.12 110.921 -173.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.58 115.57 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.482 -0.933 . . . . 74.5 108.482 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.66 ' HB2' HD13 ' A' ' 54' ' ' LEU . 70.4 m -151.05 179.71 8.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.153 0.502 . . . . 72.45 111.484 -175.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.425 HG23 HD23 ' A' ' 39' ' ' LEU . 9.2 mm -109.85 149.2 12.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.364 -0.835 . . . . 62.51 110.882 -174.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.728 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.3 t -134.6 158.62 43.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.626 -1.25 . . . . 74.41 107.626 169.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' A' ' 68' ' ' ALA . 27.5 m -130.21 172.42 15.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 C-N-CA 120.747 -0.381 . . . . 63.24 110.619 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 147.64 36.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 72.22 109.829 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 42.4 mt-10 -54.64 -47.98 96.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.409 0.522 . . . . 55.31 112.409 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 23.0 Cg_endo -63.45 -32.29 71.26 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.722 1.614 . . . . 64.55 112.798 175.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.605 ' HB3' HD11 ' A' ' 44' ' ' ILE . 1.8 m-20 -85.89 1.49 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.708 0.29 . . . . 74.22 111.528 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.81 -28.78 69.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 74.1 110.95 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -58.56 -41.35 85.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.905 -0.589 . . . . 64.41 111.087 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.02 58.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 60.33 111.386 -175.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.78 -55.55 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 72.51 111.224 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.65 -29.24 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.098 0.475 . . . . 74.34 110.467 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -67.02 -44.57 79.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 74.41 110.762 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -73.06 -46.84 49.43 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.435 -0.348 . . . . 75.1 111.234 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.539 HD11 HG12 ' A' ' 35' ' ' VAL . 32.8 mm -70.97 -8.68 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.284 0.564 . . . . 73.25 111.557 -172.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 36.0 ttmt -62.3 -23.51 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.253 -0.431 . . . . 71.3 110.603 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.9 p -81.28 -15.15 56.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.043 0.449 . . . . 73.5 111.259 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 75.52 110.605 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.709 0.29 . . . . 61.32 111.328 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.588 ' HE3' ' HD1' ' A' ' 65' ' ' PHE . 1.7 mptp? -134.49 126.61 29.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 73.45 110.149 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.1 106.18 9.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 61.33 110.357 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.551 HD22 HG13 ' A' ' 72' ' ' ILE . 20.9 tp -93.0 -51.09 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.596 -0.729 . . . . 74.04 111.225 -173.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 23' ' ' LEU . 5.7 mp -117.36 173.25 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.102 -0.333 . . . . 75.33 110.102 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -140.27 116.76 10.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.566 0.222 . . . . 74.3 111.083 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.11 -31.97 8.13 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.769 -0.729 . . . . 61.5 113.829 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 31' ' ' GLN . 6.4 mp -65.43 146.08 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 74.11 111.103 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -98.74 179.75 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.99 -0.55 . . . . 73.11 109.517 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -47.44 76.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.427 . . . . 75.22 110.758 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.97 -31.2 68.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 63.43 112.255 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.492 ' HB3' HD22 ' A' ' 27' ' ' LEU . 2.6 mp0 -86.8 -32.12 20.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.022 0.439 . . . . 73.32 110.645 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.85 -19.39 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 74.44 110.888 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -51.65 -46.27 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 72.24 111.296 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.58 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.315 0.578 . . . . 73.12 110.509 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 38' ' ' VAL . 45.1 t -83.96 -52.79 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.577 -0.738 . . . . 71.13 110.684 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.0 tt -60.43 -26.0 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.841 0.353 . . . . 60.15 111.184 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.14 77.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 74.24 111.267 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 35' ' ' VAL . 5.2 p -76.79 -27.44 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.353 . . . . 75.02 110.722 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 72' ' ' ILE . 3.3 mm? -70.91 -49.0 50.57 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.643 -0.503 . . . . 74.35 109.643 175.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.82 -40.18 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 54.42 110.046 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.97 -32.91 68.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.274 -0.875 . . . . 73.32 111.552 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -92.86 1.91 57.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.494 -0.321 . . . . 74.02 111.707 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.54 20.91 11.64 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.983 0.42 . . . . 70.22 111.571 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' A' ' 64' ' ' ASP . 10.8 tt -87.48 150.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.96 -0.564 . . . . 74.24 109.644 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.56 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.366 0.416 . . . . 70.42 110.706 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 39' ' ' LEU . . . -110.36 113.13 25.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 75.11 109.954 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.662 ' HB3' HG22 ' A' ' 59' ' ' THR . 3.9 t-20 -118.6 140.79 49.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.987 -0.551 . . . . 71.42 109.862 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -98.29 104.92 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 74.44 110.912 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.8 pt -90.32 123.35 42.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.968 0.414 . . . . 73.52 110.761 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -109.26 135.9 49.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.692 -0.685 . . . . 70.55 110.318 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.571 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 39.3 m -154.75 169.27 24.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.929 -0.578 . . . . 63.31 109.724 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.66 -37.03 10.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 73.44 112.104 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -80.61 -30.71 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.202 0.525 . . . . 72.53 110.554 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 7.4 tt -98.62 -35.14 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.63 -0.714 . . . . 74.42 111.427 -173.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.8 -113.48 4.1 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.157 -0.777 . . . . 74.01 111.157 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -131.29 138.17 49.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.904 0.383 . . . . 75.01 110.324 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.1 m -149.02 165.69 30.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.108 -0.496 . . . . 74.43 111.039 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.484 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.5 mm -102.48 108.36 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.562 -0.745 . . . . 70.54 109.73 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 47' ' ' ASN . 12.3 t -101.12 153.3 19.7 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.808 -0.441 . . . . 64.31 109.808 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 68' ' ' ALA . 21.9 m -128.76 173.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.87 149.0 50.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.048 -0.524 . . . . 64.21 110.615 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.544 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 13.2 mp0 -51.31 -45.55 89.66 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 112.784 0.661 . . . . 74.22 112.784 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 18.1 Cg_endo -61.41 -11.78 21.15 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.264 1.976 . . . . 72.33 113.712 177.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.534 ' HB3' HD12 ' A' ' 44' ' ' ILE . 52.2 m-20 -114.54 22.64 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 75.41 110.526 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.588 ' HD1' ' HE3' ' A' ' 21' ' ' LYS . 90.3 t80 -49.81 -59.34 3.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.813 -0.631 . . . . 74.31 112.468 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -71.51 -23.35 61.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.708 0.289 . . . . 74.42 111.473 -174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.73 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.408 -0.36 . . . . 63.13 110.977 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.584 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.51 -51.42 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.022 -0.535 . . . . 74.32 111.497 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.11 -34.26 67.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 75.02 110.789 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -74.23 -29.17 61.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.55 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.402 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.2 m95 -76.59 -20.73 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 75.23 110.894 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 68' ' ' ALA . 21.5 mm -88.47 -5.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.004 0.43 . . . . 74.44 110.313 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.633 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -53.75 -27.14 26.91 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.749 0.648 . . . . 74.54 112.749 -173.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 p -70.02 -21.53 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.928 0.344 . . . . 64.14 111.928 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 71.11 111.39 178.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 121.487 0.661 . . . . 72.34 109.919 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -86.14 128.83 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 75.12 109.699 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.01 132.02 35.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.345 0.593 . . . . 71.1 110.226 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 tp -107.89 -40.55 5.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.883 -0.598 . . . . 74.21 110.754 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.632 HD13 HG13 ' A' ' 35' ' ' VAL . 41.1 mt -114.89 167.34 10.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.87 -0.605 . . . . 73.11 110.023 -174.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -134.5 115.62 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.558 0.218 . . . . 75.14 110.565 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 52.08 9.1 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.129 -0.557 . . . . 72.02 114.179 172.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.54 HD23 HD11 ' A' ' 24' ' ' LEU . 7.5 mp -118.87 150.87 39.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.98 0.39 . . . . 74.05 110.132 172.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.68 176.69 6.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.398 . . . . 74.25 110.106 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.61 -57.97 10.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.508 0.323 . . . . 75.14 111.611 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.63 -23.9 66.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 73.33 110.993 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.35 -32.03 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.138 0.494 . . . . 70.0 110.088 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.91 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.711 -0.677 . . . . 63.33 111.209 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.473 ' HA ' HG22 ' A' ' 36' ' ' ILE . 8.8 t30 -54.99 -41.53 71.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.34 -0.391 . . . . 65.33 111.311 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.5 tp10 -60.52 -46.09 91.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.974 0.416 . . . . 75.13 110.067 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.632 HG13 HD13 ' A' ' 24' ' ' LEU . 60.7 t -68.21 -45.92 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 72.43 111.419 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.547 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 17.8 tt -64.3 -32.29 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.896 -0.322 . . . . 52.12 110.534 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.1 82.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.174 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 34' ' ' GLU . 69.8 t -56.01 -53.14 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.284 -0.416 . . . . 63.12 110.349 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 4.5 mm? -56.89 -51.08 70.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 73.01 110.976 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.18 -37.47 87.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.31 -0.405 . . . . 60.54 111.272 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -66.36 -24.14 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 72.43 111.135 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -89.12 11.94 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 72.14 110.864 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 65.4 28.03 11.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.906 -0.588 . . . . 74.23 112.504 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 tt -112.4 145.11 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.256 -0.646 . . . . 72.22 109.256 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.62 104.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.441 0.638 . . . . 70.45 111.343 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 39' ' ' LEU . . . -99.01 114.65 27.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.42 -0.809 . . . . 44.01 110.035 178.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.428 ' HB3' ' CG2' ' A' ' 59' ' ' THR . 25.1 t-20 -107.24 145.1 33.1 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.193 -0.458 . . . . 75.33 109.772 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -89.15 123.83 33.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.58 . . . . 73.44 110.981 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.53 HD12 ' HB ' ' A' ' 59' ' ' THR . 25.4 pt -122.42 118.84 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.128 0.49 . . . . 71.52 110.822 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -109.57 139.41 44.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.99 -0.55 . . . . 74.42 109.992 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -157.57 151.84 24.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.596 -0.52 . . . . 71.34 109.596 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.71 -43.6 98.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.754 -0.736 . . . . 65.34 112.836 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -73.78 -16.79 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.842 0.353 . . . . 73.12 111.81 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.1 tp -113.63 -39.42 4.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.926 0.393 . . . . 74.44 111.846 -168.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.33 -125.12 7.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.696 -0.962 . . . . 64.12 110.696 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -117.13 121.45 41.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.999 0.428 . . . . 75.53 110.106 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.8 m -140.43 170.04 16.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.964 -0.562 . . . . 70.23 110.512 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.547 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.4 mm -108.03 141.6 22.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.863 -0.608 . . . . 64.21 109.718 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.53 ' HB ' HD12 ' A' ' 49' ' ' ILE . 4.0 t -127.41 152.88 46.95 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.914 -0.402 . . . . 74.41 109.914 176.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 68' ' ' ALA . 27.7 m -134.09 175.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.859 -0.609 . . . . 71.25 109.952 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 139.5 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.699 0.624 . . . . 72.44 110.427 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.58 -55.88 20.05 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.818 0.673 . . . . 74.04 112.818 -173.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -73.58 -5.87 17.79 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.738 1.625 . . . . 73.14 112.949 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -103.24 11.43 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.44 . . . . 74.54 110.714 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.96 -36.58 77.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 72.23 110.289 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -62.13 -34.91 77.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 71.33 110.986 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.13 72.95 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.465 -0.334 . . . . 72.14 110.203 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.618 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -56.69 -49.23 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 75.53 110.527 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 -36.54 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 73.51 110.593 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -62.66 -38.49 90.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.818 -0.628 . . . . 74.42 110.711 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -71.76 -31.74 66.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 73.23 110.646 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 68' ' ' ALA . 51.9 mm -63.95 -19.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 75.11 110.918 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 17.3 mmtt -65.78 -15.67 63.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.389 0.514 . . . . 70.03 112.389 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.2 p -85.64 1.49 49.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 64.41 110.465 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.3 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.656 . . . . 75.43 110.574 179.335 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 121.299 0.571 . . . . 71.12 110.174 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.912 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 10.2 mmpt? -73.53 116.61 14.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.702 -0.681 . . . . 64.43 110.745 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.37 129.75 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 75.1 110.626 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD21 HD12 ' A' ' 72' ' ' ILE . 20.1 tp -111.64 -45.17 3.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.475 -0.784 . . . . 72.33 109.841 -177.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 HG11 ' A' ' 35' ' ' VAL . 62.1 mt -137.15 138.48 40.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.124 -0.943 . . . . 72.42 109.377 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.665 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 9.1 mtpm? -114.23 123.05 48.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.138 0.494 . . . . 75.41 111.951 -174.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.24 40.59 10.05 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.626 -0.716 . . . . 72.3 112.405 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 32' ' ' ALA . 20.4 tp -116.79 129.47 56.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.957 -0.386 . . . . 73.34 109.957 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.09 160.62 27.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.367 -0.379 . . . . 64.51 110.103 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -61.7 -33.65 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 74.03 109.821 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.63 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 70.12 110.613 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.84 -22.22 34.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 73.51 110.852 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -62.49 -18.5 61.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.817 -0.629 . . . . 64.31 111.136 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -46.96 -43.02 18.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.399 -0.818 . . . . 71.45 111.96 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.0 -43.9 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.157 0.504 . . . . 74.43 110.952 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.588 HG11 HD11 ' A' ' 24' ' ' LEU . 45.7 t -79.07 -42.61 23.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.774 -0.648 . . . . 73.43 111.633 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.36 -31.83 52.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.676 0.274 . . . . 73.02 110.665 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.63 92.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 65.24 110.473 177.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.97 -54.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 71.23 110.485 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 44' ' ' ILE . 3.7 mm? -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.808 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.75 -47.46 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 75.3 111.028 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mmm -66.9 -25.51 66.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.359 . . . . 75.44 111.583 -177.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -82.93 7.95 13.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.614 0.245 . . . . 74.51 111.006 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 m120 63.46 22.19 13.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.864 -0.607 . . . . 65.04 111.968 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 39' ' ' LEU . 17.8 tt -100.49 145.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.048 -0.723 . . . . 74.43 109.048 175.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 60' ' ' VAL . 41.4 tt0 -69.47 124.67 24.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.363 -0.381 . . . . 50.31 111.496 -173.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.48 114.21 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.053 -0.521 . . . . 75.44 110.846 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.524 ' HB2' HG21 ' A' ' 59' ' ' THR . 45.1 m-80 -113.98 156.82 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.426 -0.352 . . . . 71.24 110.185 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.84 142.92 27.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 65.43 111.987 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.542 HD11 ' HB ' ' A' ' 59' ' ' THR . 4.8 pt -143.29 104.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 63.2 109.498 167.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 20.7 t70 -108.13 131.21 54.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.922 0.391 . . . . 73.21 110.427 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.7 m -156.34 151.99 27.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.786 -0.643 . . . . 75.1 109.334 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.98 95.1 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.756 -0.735 . . . . 73.22 112.933 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -70.6 -17.92 62.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 72.04 111.241 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tt -113.45 -53.21 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.229 -0.441 . . . . 64.31 111.987 -166.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.567 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 95.36 -134.05 11.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.504 -1.039 . . . . 43.14 110.504 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 31.3 m-85 -111.94 119.42 38.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.04 0.448 . . . . 73.41 111.056 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.5 m -120.45 159.29 25.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.861 -0.609 . . . . 74.05 110.338 172.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.4 mm -96.24 100.41 10.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.086 -0.709 . . . . 74.54 109.086 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.542 ' HB ' HD11 ' A' ' 49' ' ' ILE . 14.5 t -92.5 133.59 35.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.78 0.8 . . . . 62.34 110.39 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 45' ' ' GLU . 34.1 m -113.97 174.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.833 -1.076 . . . . 71.41 108.58 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.06 142.06 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.067 -0.346 . . . . 74.02 110.067 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 55.2 mt-10 -54.75 -48.24 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 112.936 0.717 . . . . 75.2 112.936 -172.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 40.6 Cg_endo -68.01 -14.45 41.07 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.713 1.609 . . . . 65.32 112.771 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -97.91 -0.68 44.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 44.45 111.227 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 69' ' ' VAL . 47.6 t80 -59.05 -31.14 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 72.45 110.931 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -55.9 -43.62 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.949 -0.568 . . . . 72.25 111.466 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.53 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.772 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -57.26 -46.6 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 72.54 110.959 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 65' ' ' PHE . 68.7 t -58.62 -40.5 79.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.187 -0.461 . . . . 75.33 110.828 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.84 -38.34 83.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.019 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 3.7 m95 -67.75 -33.14 74.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.585 -0.28 . . . . 74.42 110.871 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -65.5 -22.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 73.44 111.362 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -63.15 -22.87 67.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 72.34 111.119 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.6 p -79.44 -12.88 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 73.24 111.012 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.53 -0.545 . . . . 75.05 109.53 177.663 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' HA ' HG23 ' A' ' 59' ' ' THR . 12.7 p-10 . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 121.38 0.609 . . . . 73.15 111.605 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 34.6 mmtm -145.79 149.76 34.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 74.23 110.602 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.487 ' HB3' HD13 ' A' ' 54' ' ' LEU . 7.4 p-10 -77.71 133.28 38.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.721 . . . . 75.2 110.976 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.518 HD23 ' HB ' ' A' ' 58' ' ' ILE . 34.2 tp -112.43 -28.72 7.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.602 -0.726 . . . . 72.4 110.08 174.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD12 HD22 ' A' ' 27' ' ' LEU . 67.0 mt -133.87 175.67 9.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 74.11 109.606 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -140.13 125.41 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.371 0.137 . . . . 74.52 111.371 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.27 94.5 Favored Glycine 0 C--N 1.333 0.372 0 O-C-N 123.596 0.56 . . . . 53.03 113.307 173.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 24' ' ' LEU . 12.8 tp -112.73 144.89 41.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.093 -0.336 . . . . 65.05 110.093 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.23 161.51 14.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.779 0.324 . . . . 73.21 110.383 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -54.95 -35.41 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.779 -0.646 . . . . 72.14 111.533 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.61 -35.58 79.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 65.32 111.081 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.491 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 47.3 mt-30 -81.13 -27.81 35.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 75.33 110.483 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.2 -22.85 67.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.739 -0.664 . . . . 75.41 111.098 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.59 -40.91 69.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.064 -0.516 . . . . 61.15 110.953 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.45 -30.73 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.63 -0.714 . . . . 64.32 110.839 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG13 HD11 ' A' ' 24' ' ' LEU . 34.1 t -89.42 -45.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 70.54 111.357 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 tt -61.72 -31.52 51.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.851 0.358 . . . . 73.42 111.238 -175.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.95 73.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.095 -0.502 . . . . 72.32 110.87 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.0 -46.26 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.607 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.534 ' HG ' HG23 ' A' ' 58' ' ' ILE . 3.9 mm? -64.89 -52.97 53.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.057 -0.519 . . . . 75.53 110.965 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.51 -28.5 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 73.33 111.214 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 ttm -70.02 -35.91 74.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.407 . . . . 71.54 110.771 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -87.94 15.98 6.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.091 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.87 26.21 11.13 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.553 0.575 . . . . 73.1 112.553 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.44 128.26 70.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.987 -0.375 . . . . 70.1 109.987 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.31 121.82 11.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.932 -0.577 . . . . 72.44 110.777 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 113.99 23.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.691 -0.686 . . . . 63.34 110.603 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -105.99 155.29 19.52 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.43 -0.582 . . . . 71.31 109.43 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -105.1 133.35 50.02 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 121.042 -0.263 . . . . 73.33 110.515 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 57' ' ' SER . 1.1 pt -93.43 103.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 55.4 110.594 174.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.02 102.0 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 74.41 109.732 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.8 m -152.57 117.11 5.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 65.34 109.431 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.96 -30.54 76.18 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 121.223 -0.513 . . . . 73.44 113.08 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.78 -36.02 50.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.156 0.503 . . . . 74.35 110.838 -178.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 22' ' ' ASP . 5.3 tt -86.53 -40.48 15.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.307 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.83 168.88 29.73 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.557 -1.017 . . . . 74.34 110.557 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -76.16 117.74 18.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 72.13 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.548 ' HB2' HD11 ' A' ' 49' ' ' ILE . 75.6 m -133.44 169.7 16.57 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.156 -0.929 . . . . 65.33 110.104 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.534 HG23 ' HG ' ' A' ' 39' ' ' LEU . 34.8 mm -100.47 120.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.91 -0.586 . . . . 74.12 110.584 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 20' ' ' ASP . 31.9 m -113.85 133.43 55.42 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.802 -0.635 . . . . 74.23 109.92 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.534 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 31.5 m -123.54 173.46 9.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.105 -0.498 . . . . 65.11 111.274 -174.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.56 149.94 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 73.41 110.986 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.565 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 55.7 mp0 -49.87 -54.52 31.48 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.906 0.706 . . . . 73.44 112.906 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.565 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 18.4 Cg_exo -67.67 -14.51 42.16 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.868 1.712 . . . . 72.32 113.053 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -107.36 3.71 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.568 0.21 . . . . 74.22 111.568 -176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 61.8 t80 -59.86 -49.85 76.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 74.32 111.312 -176.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 t -62.31 -29.42 70.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 74.21 111.108 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.86 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 74.33 110.341 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.492 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.1 -39.35 81.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 71.1 111.012 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 65' ' ' PHE . 62.0 t -61.12 -35.14 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.968 -0.56 . . . . 73.2 110.718 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.29 -34.03 65.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 71.21 110.788 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -68.65 -25.92 65.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 74.11 110.84 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.2 mm -68.11 -23.77 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.035 -0.53 . . . . 74.03 110.727 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 65.7 mmtt -62.49 -33.34 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 74.23 111.627 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -76.48 -26.7 55.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 71.14 111.359 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.117 0.484 . . . . 73.41 110.55 -178.664 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 113.078 0.77 . . . . 65.25 113.078 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -124.31 126.08 45.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.878 -0.416 . . . . 73.3 109.878 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' HB3' ' HE3' ' A' ' 25' ' ' LYS . 4.4 m-20 -70.3 105.59 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 72.32 109.834 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 58' ' ' ILE . 18.0 tp -96.13 -61.37 1.45 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 73.22 110.134 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD12 HG23 ' A' ' 35' ' ' VAL . 67.4 mt -115.71 137.02 52.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.836 -0.62 . . . . 75.51 109.627 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 22' ' ' ASP . 11.2 mptt -113.63 115.57 28.11 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.561 -0.455 . . . . 75.22 110.39 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.96 -19.51 33.79 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.018 -0.61 . . . . 74.35 113.288 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD21 HD22 ' A' ' 24' ' ' LEU . 7.9 mp -67.88 138.98 56.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.884 0.373 . . . . 75.1 111.002 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -85.19 166.6 16.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.847 -0.615 . . . . 74.12 109.619 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . 10.5 pt20 -70.72 -17.13 62.82 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.001 -0.279 . . . . 64.54 111.231 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -57.85 -41.44 82.37 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.356 0.598 . . . . 75.23 109.604 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.01 -36.96 24.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.382 -0.826 . . . . 72.41 110.004 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 29' ' ' GLN . . . -64.43 -19.99 65.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.714 -0.676 . . . . 74.32 111.376 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.51 -43.7 79.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 63.43 110.283 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.78 -32.33 70.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.421 0.629 . . . . 72.22 110.188 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG23 HD12 ' A' ' 24' ' ' LEU . 80.9 t -71.12 -51.32 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.204 -0.907 . . . . 74.53 111.377 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 tt -70.96 -23.93 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.828 0.347 . . . . 75.12 110.684 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.33 96.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.206 -0.452 . . . . 72.22 111.171 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 35' ' ' VAL . 9.6 p -68.08 -31.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.414 . . . . 64.43 110.177 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' O ' HG21 ' A' ' 44' ' ' ILE . 9.2 mp -64.58 -49.23 71.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.406 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -59.32 -40.12 85.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 74.11 110.809 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.1 mtt -75.76 -4.28 39.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 74.22 111.815 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -113.08 9.83 18.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 74.12 110.869 175.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 t30 63.34 25.46 14.66 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.474 -0.785 . . . . 62.22 111.807 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG21 ' O ' ' A' ' 39' ' ' LEU . 11.6 tt -96.16 150.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.047 -0.408 . . . . 71.5 110.055 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.34 137.12 56.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.417 -0.356 . . . . 74.33 110.455 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.93 121.19 20.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.828 0.347 . . . . 64.21 110.654 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.482 ' HB2' HG21 ' A' ' 59' ' ' THR . 12.7 m120 -109.84 151.61 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.372 -0.377 . . . . 72.15 110.32 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -103.84 119.2 38.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.419 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.486 HD12 ' HB ' ' A' ' 59' ' ' THR . 28.4 pt -125.63 118.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 72.3 111.267 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.16 139.64 43.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.695 -0.684 . . . . 75.35 109.328 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.1 m -153.75 142.03 20.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.907 -0.405 . . . . 64.32 109.907 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.61 92.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.275 -0.488 . . . . 74.1 113.433 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -12.7 54.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.957 0.378 . . . . 73.45 111.915 -176.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 65.3 tp -110.88 -38.8 5.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 74.11 111.643 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.36 -126.52 8.95 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.75 -0.94 . . . . 74.33 110.75 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -123.84 119.09 28.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.844 0.354 . . . . 72.41 110.436 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -124.17 158.5 32.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.186 0.517 . . . . 70.42 111.008 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.47 ' O ' HD22 ' A' ' 23' ' ' LEU . 13.8 mm -111.44 100.95 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.603 -0.888 . . . . 63.13 108.603 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 49' ' ' ILE . 10.6 t -90.46 151.91 21.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.187 0.518 . . . . 73.44 110.863 -174.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.47 174.32 11.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.51 -0.768 . . . . 74.33 109.453 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.71 154.6 40.24 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.666 -0.494 . . . . 74.11 109.666 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 4.9 mp0 -53.24 -47.66 95.16 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.755 0.65 . . . . 73.22 112.755 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 31.2 Cg_exo -62.14 -20.68 70.69 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.066 1.844 . . . . 74.44 113.072 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -98.87 1.27 45.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.511 -0.313 . . . . 74.21 111.07 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.39 -44.52 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 75.32 111.331 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -66.86 -24.67 66.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 74.03 111.184 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.89 -42.86 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 75.21 110.653 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.618 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.88 -52.3 60.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.734 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.61 -37.71 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 75.45 110.832 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.7 -40.14 93.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 74.2 110.909 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.32 -38.75 81.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.006 0.432 . . . . 72.14 110.577 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 68' ' ' ALA . 29.1 mm -66.64 -29.64 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.55 . . . . 73.32 110.695 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -62.38 -36.86 83.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.76 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.59 44.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.012 0.375 . . . . 74.25 112.012 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.077 0.465 . . . . 74.54 109.913 173.722 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.773 0.797 . . . . 73.34 112.221 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 9.9 mmpt? -113.52 142.81 45.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.831 -1.077 . . . . 74.12 108.344 170.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -79.3 105.81 10.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.641 0.734 . . . . 74.51 111.398 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.2 tp -76.18 -41.06 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.137 -0.938 . . . . 75.01 110.463 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 HG12 ' A' ' 35' ' ' VAL . 35.6 mt -126.72 155.14 43.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.163 -0.926 . . . . 73.54 108.893 -177.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.26 116.74 14.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.785 -0.366 . . . . 75.44 110.8 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.34 39.57 5.97 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.772 -0.728 . . . . 74.34 113.3 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 24' ' ' LEU . 8.6 mp -115.47 157.26 24.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 73.53 111.046 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.75 -178.99 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.54 -0.754 . . . . 64.41 109.744 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.67 -32.66 72.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 65.52 110.59 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.92 -57.37 12.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 73.34 111.43 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -66.93 -22.84 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.404 . . . . 55.11 110.895 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.1 65.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 71.21 111.391 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.32 -44.43 87.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.92 0.39 . . . . 52.23 110.234 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.322 0.582 . . . . 75.12 110.56 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 38' ' ' VAL . 87.5 t -69.02 -53.71 24.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.297 -0.865 . . . . 73.31 111.685 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 tt -59.94 -23.82 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.771 0.319 . . . . 74.53 111.205 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.22 97.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.264 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 35' ' ' VAL . 8.2 p -72.57 -29.86 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.687 -0.405 . . . . 72.13 110.508 -177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.36 -46.2 61.03 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.733 -0.469 . . . . 73.35 109.733 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.18 -45.4 91.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 71.14 111.211 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -59.14 -37.08 76.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 63.13 111.969 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.23 3.68 54.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.571 -0.452 . . . . 62.02 111.206 -177.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.6 m120 64.02 24.2 13.49 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.749 -0.659 . . . . 71.45 112.315 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.0 tt -86.74 147.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.775 -0.454 . . . . 71.41 109.775 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.1 124.19 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.584 -0.28 . . . . 64.44 110.631 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.07 126.06 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 73.4 110.916 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -117.67 165.64 13.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.929 -0.578 . . . . 75.53 109.984 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -99.08 139.52 34.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.201 -0.454 . . . . 71.03 111.1 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.554 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.9 pt -128.8 102.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.282 0.563 . . . . 75.14 110.73 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -101.83 124.81 48.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.356 -0.838 . . . . 71.15 109.884 175.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -151.65 163.86 38.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.174 -0.466 . . . . 74.42 109.926 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.72 85.65 Favored Glycine 0 N--CA 1.454 -0.118 0 C-N-CA 120.799 -0.715 . . . . 72.32 112.476 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.591 ' HE2' HD12 ' A' ' 54' ' ' LEU . 15.7 ptmt -67.94 -22.26 65.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.818 0.342 . . . . 74.42 111.774 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.591 HD12 ' HE2' ' A' ' 53' ' ' LYS . 7.4 tp -113.91 -44.16 3.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.813 0.671 . . . . 74.12 112.813 -164.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 92.72 -127.25 8.9 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.412 -1.075 . . . . 63.44 110.412 -170.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.43 118.96 35.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.878 0.371 . . . . 75.14 110.063 174.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -141.7 178.16 7.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.393 -0.367 . . . . 75.24 111.15 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 mm -108.04 144.95 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.073 -0.512 . . . . 64.42 110.331 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.554 ' HB ' HD13 ' A' ' 49' ' ' ILE . 1.9 t -135.49 158.03 45.41 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.989 -1.115 . . . . 73.3 107.989 170.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.583 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 35.9 m -134.64 174.2 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 121.122 -0.231 . . . . 72.22 110.87 -172.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.49 142.08 14.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 72.24 110.746 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.564 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 38.2 mt-10 -53.04 -50.67 80.76 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.634 0.605 . . . . 73.42 112.634 -174.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 20.1 Cg_exo -66.96 -24.25 45.97 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.746 1.63 . . . . 74.21 112.412 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.545 ' HB3' HD11 ' A' ' 44' ' ' ILE . 42.9 m-20 -96.56 3.82 52.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.092 -0.504 . . . . 74.21 111.771 -175.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 63.6 t80 -63.86 -34.73 78.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 62.12 111.054 -176.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -62.68 -26.9 68.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.913 0.387 . . . . 54.15 110.766 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.91 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.392 -0.367 . . . . 61.14 110.614 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.63 -46.59 73.94 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.026 0.441 . . . . 75.02 110.631 176.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.38 -38.2 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.78 -0.646 . . . . 70.41 110.65 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.35 -47.42 85.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 73.22 110.13 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -67.3 -38.33 84.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 72.23 110.86 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 68' ' ' ALA . 48.2 mm -72.27 -29.76 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.873 0.368 . . . . 75.24 110.642 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -66.66 -24.43 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.131 0.491 . . . . 73.33 110.099 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.6 m -78.33 -22.9 47.39 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.573 -0.74 . . . . 63.42 110.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 73.21 109.804 177.167 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 121.406 0.622 . . . . 73.45 111.388 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -125.65 116.36 21.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.782 -0.645 . . . . 72.45 109.587 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.87 105.61 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 75.12 110.252 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 tp -102.64 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.228 0.537 . . . . 75.41 110.565 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 35' ' ' VAL . 32.5 mt -112.54 163.6 14.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.828 -0.624 . . . . 73.44 109.962 -174.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -133.39 124.62 27.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.536 0.208 . . . . 74.05 110.612 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.69 60.0 9.52 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 116.037 -0.529 . . . . 64.12 113.393 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.416 HD21 HD12 ' A' ' 24' ' ' LEU . 16.8 tp -124.0 149.63 45.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.883 0.341 . . . . 73.21 110.621 -178.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.89 174.09 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 72.22 110.732 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -74.72 -41.84 59.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.37 -0.377 . . . . 75.12 110.935 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.83 -29.31 70.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.82 0.343 . . . . 65.11 110.854 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.05 -36.53 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 70.33 110.334 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.7 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.482 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 36' ' ' ILE . 7.8 t30 -58.43 -41.77 85.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.78 -0.645 . . . . 71.51 110.719 176.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.1 -33.92 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.257 0.551 . . . . 74.01 110.399 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 24' ' ' LEU . 73.1 t -76.22 -50.11 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 71.22 111.023 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.54 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.2 tt -62.46 -23.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.799 0.333 . . . . 71.24 110.356 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.89 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 74.32 111.357 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 35' ' ' VAL . 10.0 p -72.27 -31.82 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.846 -0.341 . . . . 73.3 110.429 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 44' ' ' ILE . 3.4 mm? -71.43 -53.84 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 71.12 110.366 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -63.32 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.727 -0.67 . . . . 74.21 110.667 -176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 tpp -59.3 -39.3 82.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 54.1 110.956 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -91.9 8.75 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.943 0.401 . . . . 71.1 110.795 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.31 32.49 21.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.359 -0.837 . . . . 74.54 111.675 174.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.514 HG22 HD13 ' A' ' 39' ' ' LEU . 11.8 tt -84.79 149.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.024 -0.732 . . . . 62.33 109.024 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -67.24 97.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.148 0.499 . . . . 74.44 111.022 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' HD21 ' A' ' 47' ' ' ASN . . . -100.03 124.53 45.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.354 -0.839 . . . . 74.41 110.502 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.518 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.9 OUTLIER -114.26 154.39 28.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.239 -0.652 . . . . 72.44 109.239 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -97.79 136.39 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.701 -0.227 . . . . 74.52 110.68 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.507 HD11 ' HB ' ' A' ' 59' ' ' THR . 9.6 pt -129.35 130.33 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 63.33 111.257 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -109.66 128.42 55.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 73.45 109.907 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.626 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 29.1 m -153.1 165.84 34.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.908 -0.404 . . . . 75.51 109.908 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.36 -49.13 12.51 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.768 -0.729 . . . . 74.33 113.387 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -76.94 -16.68 59.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.442 0.639 . . . . 74.32 110.441 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 4.2 tt -103.46 -32.67 9.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.25 -0.886 . . . . 75.21 111.17 -173.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.38 -117.57 5.58 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.157 -0.777 . . . . 72.13 111.157 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -115.71 118.94 34.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.399 -0.593 . . . . 74.14 109.399 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB2' HD22 ' A' ' 54' ' ' LEU . 54.4 m -146.4 178.42 8.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.014 0.435 . . . . 75.42 110.841 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.54 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 10.4 mm -110.91 138.37 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.726 -0.67 . . . . 64.35 110.852 -173.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 47' ' ' ASN . 11.4 t -121.67 143.29 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.368 -0.975 . . . . 72.43 108.368 169.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.75 174.77 2.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 120.946 -0.301 . . . . 63.14 110.55 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.58 146.33 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 124.024 0.827 . . . . 70.02 111.43 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.595 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.6 tp10 -48.75 -54.77 24.24 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.577 -0.738 . . . . 74.13 112.884 -171.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 19.3 Cg_endo -91.37 0.6 4.66 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.178 1.919 . . . . 74.55 112.882 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.46 14.46 31.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.025 0.44 . . . . 74.23 111.18 -173.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.67 -27.37 67.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 73.3 110.579 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.6 t -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.625 -0.716 . . . . 62.24 111.346 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.3 51.57 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.276 -0.268 . . . . 73.05 110.276 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.595 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.17 -52.17 59.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.565 . . . . 52.12 110.672 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.03 -38.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 73.23 110.77 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -68.06 -40.18 82.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 74.11 110.768 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.41 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.5 m95 -72.06 -36.33 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.334 . . . . 72.43 110.631 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.9 mm -66.97 -35.39 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 65.44 110.167 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.26 -23.05 67.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.236 0.541 . . . . 63.44 110.149 175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.0 m -90.22 -18.71 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.861 -0.609 . . . . 70.41 110.461 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.2 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 71.05 110.535 178.58 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' HA ' ' OG1' ' A' ' 59' ' ' THR . 7.9 m-20 . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.296 0.569 . . . . 74.43 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.711 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 26.4 mmmt -130.14 143.95 51.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.388 -0.824 . . . . 75.45 110.014 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -81.57 105.5 12.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.485 0.659 . . . . 74.4 110.374 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 tp -89.37 -29.62 18.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.499 -0.773 . . . . 73.43 110.138 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.737 HD13 HG13 ' A' ' 35' ' ' VAL . 54.5 mt -126.1 148.84 49.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.543 -0.753 . . . . 73.33 109.744 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 7.7 mmpt? -113.76 116.77 29.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.553 -0.294 . . . . 74.42 110.537 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.31 62.56 6.16 Favored Glycine 0 N--CA 1.451 -0.347 0 O-C-N 123.707 0.629 . . . . 73.13 113.4 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' CD2' HD11 ' A' ' 24' ' ' LEU . 16.8 tp -121.56 153.73 37.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.887 -0.412 . . . . 64.02 109.887 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.473 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 14.0 t70 -101.33 160.45 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 62.53 109.745 177.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.37 -28.86 69.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.593 -0.276 . . . . 74.52 110.988 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.789 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 8.2 pt-20 -57.92 -42.62 85.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.26 0.552 . . . . 72.33 111.046 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.789 ' HG3' ' HG3' ' A' ' 30' ' ' GLU . 68.2 mt-30 -87.17 -20.97 26.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.696 -0.683 . . . . 74.23 110.922 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.33 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 74.43 111.286 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -53.59 -38.87 64.37 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.904 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -74.6 -33.59 62.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 72.01 110.659 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.737 HG13 HD13 ' A' ' 24' ' ' LEU . 94.8 t -75.81 -50.4 23.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 54.32 111.023 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' HB ' HD12 ' A' ' 58' ' ' ILE . 15.2 tt -59.8 -25.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.827 0.346 . . . . 64.42 111.27 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.37 86.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.023 -0.535 . . . . 73.42 111.461 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG11 ' O ' ' A' ' 35' ' ' VAL . 6.2 p -74.17 -28.31 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.8 0.333 . . . . 53.01 110.628 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HG ' HG22 ' A' ' 58' ' ' ILE . 3.1 mm? -75.78 -55.03 6.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.715 0.293 . . . . 73.13 110.354 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.77 -39.04 87.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.173 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.06 -41.1 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.969 0.414 . . . . 72.2 110.522 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -82.2 0.79 39.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 74.15 111.74 -176.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 66.1 24.52 10.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 65.0 112.088 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 tt -91.01 133.12 33.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.942 -0.762 . . . . 72.34 108.942 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.92 112.03 2.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 61.41 111.158 -175.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.34 132.54 54.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.987 -0.551 . . . . 70.45 110.621 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -127.38 174.35 9.06 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.348 -0.612 . . . . 74.43 109.348 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 130.9 52.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.483 0.183 . . . . 74.42 110.549 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.09 89.81 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.43 -0.582 . . . . 73.53 109.43 168.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -78.16 108.92 11.82 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.654 -0.703 . . . . 74.14 110.553 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -154.88 128.88 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.687 -0.688 . . . . 54.12 109.469 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.1 83.76 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.572 -0.823 . . . . 64.11 112.771 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.935 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -79.26 -9.76 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 75.11 110.797 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -109.24 -44.01 4.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.297 0.57 . . . . 71.1 110.087 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.09 -128.84 9.59 Favored Glycine 0 N--CA 1.443 -0.888 0 N-CA-C 110.395 -1.082 . . . . 73.03 110.395 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -134.76 118.86 17.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.215 0.531 . . . . 73.35 110.013 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 50.3 m -142.52 171.78 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.628 -0.715 . . . . 65.34 110.316 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.508 HG22 ' HG ' ' A' ' 39' ' ' LEU . 35.7 mm -91.02 129.36 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.026 -0.534 . . . . 65.21 110.885 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 20' ' ' ASP . 10.4 t -126.46 131.33 51.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.462 -0.57 . . . . 63.35 109.462 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.6 173.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.053 -0.521 . . . . 70.2 109.831 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.75 130.71 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.304 -0.628 . . . . 64.21 109.304 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.711 ' HG2' ' HG2' ' A' ' 21' ' ' LYS . 40.1 mt-10 -58.97 -39.19 72.27 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.343 0.868 . . . . 71.21 113.343 -171.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 11.2 Cg_endo -57.51 -35.85 98.78 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.588 1.525 . . . . 72.11 112.304 171.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.86 0.81 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.32 111.536 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.94 -29.91 70.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.82 0.343 . . . . 75.23 110.817 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 t -63.54 -27.55 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 73.21 110.878 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.17 -43.24 29.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.8 -0.444 . . . . 73.55 109.8 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.23 -47.96 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.841 -0.618 . . . . 75.44 110.814 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.98 -40.28 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 74.34 111.074 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -68.77 -37.86 79.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 73.42 111.076 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -67.28 -44.31 79.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 74.14 110.452 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' ALA . 39.5 mm -70.89 -23.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 64.44 110.548 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -66.95 -18.59 65.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.245 0.545 . . . . 70.42 110.317 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -93.04 -8.29 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.43 0.633 . . . . 74.51 110.202 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 73.23 110.274 -179.017 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 113.099 0.777 . . . . 64.33 113.099 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 44.6 mmtm -121.26 135.42 55.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.143 -0.348 . . . . 73.33 111.04 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.11 105.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.49 -0.777 . . . . 71.0 111.093 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 tp -83.52 -40.18 19.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.25 0.548 . . . . 61.23 110.227 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.658 HD11 HG13 ' A' ' 35' ' ' VAL . 66.9 mt -124.75 145.71 49.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.68 . . . . 74.21 110.201 -176.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -118.85 116.2 26.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.714 0.292 . . . . 73.05 110.788 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.72 46.12 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.722 -0.751 . . . . 71.21 113.325 174.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 24' ' ' LEU . 7.4 mp -68.0 141.92 56.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.044 0.422 . . . . 75.41 110.651 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.68 178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.986 -0.552 . . . . 70.42 110.116 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.3 -44.3 95.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 74.2 110.474 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.44 -29.16 70.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.326 -0.852 . . . . 64.43 111.675 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -86.7 -27.95 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.14 0.495 . . . . 74.14 110.663 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.42 65.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 74.31 111.607 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -51.59 -43.49 62.49 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.084 -0.507 . . . . 73.54 111.527 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.69 -35.7 72.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.226 0.536 . . . . 72.23 110.52 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.658 HG13 HD11 ' A' ' 24' ' ' LEU . 91.6 t -70.53 -45.95 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.586 -0.734 . . . . 73.23 111.209 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 tt -70.57 -26.12 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.73 -0.388 . . . . 75.21 110.594 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.527 ' O ' ' HG3' ' A' ' 41' ' ' MET . . . -66.82 -53.13 35.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.475 -0.33 . . . . 73.31 110.972 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.09 -28.7 45.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.094 0.473 . . . . 73.15 110.294 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.588 ' HG ' ' CG2' ' A' ' 44' ' ' ILE . 9.2 tp -69.47 -49.22 56.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 74.4 109.914 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -60.55 -29.13 68.96 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.857 -0.61 . . . . 75.22 110.977 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 37' ' ' ALA . 91.2 mtp -62.18 -18.51 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 72.53 111.368 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -104.51 5.9 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.625 -0.261 . . . . 72.04 110.913 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.74 24.71 13.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.103 0.561 . . . . 62.13 111.731 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.682 HD13 ' HB3' ' A' ' 64' ' ' ASP . 11.1 tt -88.3 150.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.63 -0.507 . . . . 73.54 109.63 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' HG11 ' A' ' 60' ' ' VAL . 9.5 tp10 -55.5 143.88 27.88 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 73.31 110.99 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.01 121.65 18.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.261 -0.427 . . . . 74.4 110.914 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' HG21 ' A' ' 59' ' ' THR . 17.9 t-20 -132.33 134.66 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 74.14 109.909 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 1.8 mppt? -92.02 122.76 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.761 -0.375 . . . . 75.11 110.695 -177.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG13 ' HB2' ' A' ' 57' ' ' SER . 8.3 pt -112.56 111.53 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.924 0.392 . . . . 61.41 110.165 173.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -107.78 140.53 40.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.086 -0.507 . . . . 75.31 109.96 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.432 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 75.6 m -160.53 146.58 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.839 -0.619 . . . . 74.02 109.879 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.11 -24.89 65.65 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 121.09 -0.576 . . . . 53.32 112.556 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -10.44 40.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 74.4 111.16 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.642 HD22 ' HG ' ' A' ' 57' ' ' SER . 7.6 tt -114.88 -49.91 2.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.84 -0.618 . . . . 71.34 111.336 -170.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.44 -125.04 8.38 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.901 -1.28 . . . . 71.33 109.901 -167.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -130.39 119.17 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.026 0.441 . . . . 72.12 110.603 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.642 ' HG ' HD22 ' A' ' 54' ' ' LEU . 35.5 m -123.31 163.49 20.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.099 0.476 . . . . 65.52 110.913 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.2 mm -109.07 100.86 11.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.458 -0.792 . . . . 73.25 109.061 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 HG21 ' HB3' ' A' ' 47' ' ' ASN . 10.2 t -87.65 143.0 27.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 53.35 109.8 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.414 HG11 ' O ' ' A' ' 45' ' ' GLU . 35.9 m -121.51 174.09 6.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 115.822 -0.626 . . . . 73.43 109.98 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.3 170.31 8.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 61.35 110.962 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 18.9 mp0 -54.92 -55.63 36.64 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.027 -0.533 . . . . 73.32 112.261 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 53.7 Cg_endo -70.69 -17.2 33.53 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.815 1.677 . . . . 75.32 112.733 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.682 ' HB3' HD13 ' A' ' 44' ' ' ILE . 9.1 m-20 -90.01 -11.33 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.488 -0.324 . . . . 75.21 111.23 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -57.94 -46.16 85.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.426 -0.352 . . . . 73.11 111.473 -174.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -66.19 -29.39 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.878 0.371 . . . . 74.23 111.236 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.76 57.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 71.12 110.444 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.531 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.38 -46.9 66.42 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.096 -0.502 . . . . 74.12 111.157 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.61 -39.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 73.51 111.154 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.65 -42.69 91.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.476 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.93 -47.12 78.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 64.25 110.527 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.644 HD12 HG11 ' A' ' 35' ' ' VAL . 30.1 mm -69.5 -28.68 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.05 110.936 -176.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.89 -28.41 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.612 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.4 m -71.61 -22.97 61.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.881 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.4 t80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 72.22 110.993 -176.342 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 121.274 0.559 . . . . 75.45 110.754 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -152.75 114.76 4.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.819 -1.178 . . . . 73.13 107.819 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.18 104.34 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.965 0.888 . . . . 61.13 110.955 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.43 -53.68 7.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.427 -1.261 . . . . 71.21 110.754 -177.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD12 HG23 ' A' ' 35' ' ' VAL . 78.1 mt -93.18 -177.59 4.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.635 -0.711 . . . . 73.45 109.765 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -168.54 117.12 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.431 0.457 . . . . 64.41 110.324 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.06 9.6 56.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.573 -0.823 . . . . 74.41 113.31 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 HD13 ' A' ' 24' ' ' LEU . 6.9 mp -106.28 148.83 27.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.692 0.246 . . . . 74.12 110.46 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.81 176.5 5.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.329 -0.619 . . . . 75.3 109.329 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -65.65 -35.12 79.88 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 122.46 0.304 . . . . 71.45 111.549 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -57.04 -43.23 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.53 111.667 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -86.58 -25.12 25.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.963 0.411 . . . . 74.43 110.588 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -20.08 65.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.601 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.97 -41.35 87.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 73.45 110.334 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.54 -38.8 85.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.262 0.553 . . . . 74.34 110.701 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG23 HD12 ' A' ' 24' ' ' LEU . 80.8 t -72.37 -51.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.064 -0.971 . . . . 72.04 111.336 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 tt -70.62 -20.75 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.674 -0.41 . . . . 75.14 111.095 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.26 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.44 -0.346 . . . . 74.54 110.845 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' ' 35' ' ' VAL . 8.7 p -70.4 -30.23 42.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 65.44 110.476 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD22 HG22 ' A' ' 58' ' ' ILE . 10.3 mp -70.23 -50.47 39.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 74.13 110.781 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.43 -36.1 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.054 -0.521 . . . . 75.25 110.807 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.88 -40.02 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 64.41 111.157 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -84.63 -2.22 57.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 74.43 111.12 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.6 t30 61.76 55.09 2.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.424 0.631 . . . . 72.01 110.997 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.404 HG21 ' O ' ' A' ' 39' ' ' LEU . 15.8 tt -103.73 149.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.917 -0.583 . . . . 72.22 109.608 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.04 101.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.77 141.91 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.815 -0.629 . . . . 70.33 110.8 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.539 ' HB3' HG21 ' A' ' 59' ' ' THR . 13.0 t-20 -126.56 154.91 43.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.613 . . . . 64.05 109.583 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -97.47 123.08 41.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.691 0.281 . . . . 74.43 111.205 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.623 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.0 pt -116.46 114.06 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 72.03 111.479 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -109.8 133.47 53.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 73.22 109.83 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -158.15 153.46 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.323 -0.251 . . . . 71.42 110.323 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.94 98.64 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.129 -0.558 . . . . 63.4 112.9 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -65.47 -25.1 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 73.24 110.716 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 57' ' ' SER . 34.4 tp -102.15 -49.14 4.0 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.727 0.639 . . . . 71.35 112.727 -165.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.68 -108.9 3.61 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.201 -1.159 . . . . 74.14 110.201 -170.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -128.54 126.45 40.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.83 0.347 . . . . 73.32 110.604 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.677 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.9 m -149.81 170.33 19.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.629 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.568 HG22 HD22 ' A' ' 39' ' ' LEU . 5.8 mm -112.21 141.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.441 -0.577 . . . . 75.52 109.441 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.623 ' HB ' HD13 ' A' ' 49' ' ' ILE . 14.8 t -126.74 156.99 40.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.098 -0.334 . . . . 74.31 110.098 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.2 m -141.61 173.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.401 -0.592 . . . . 65.41 109.401 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.33 138.31 32.98 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.669 -0.493 . . . . 75.24 109.669 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.512 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.5 tt0 -58.14 -47.21 99.25 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.502 0.556 . . . . 75.33 112.502 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 31.9 Cg_exo -61.88 -14.04 34.43 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.1 1.867 . . . . 73.21 112.841 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.21 3.5 25.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.813 0.34 . . . . 73.35 110.795 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.5 -30.71 71.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.235 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -62.6 -28.66 70.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 73.34 110.977 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.98 62.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.489 -0.323 . . . . 74.41 110.264 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.565 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.58 -41.81 70.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.925 -0.579 . . . . 73.01 110.61 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.75 -42.72 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.66 . . . . 73.53 110.944 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -61.27 -42.03 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 62.12 111.034 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -64.21 -48.34 76.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.62 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 68' ' ' ALA . 25.6 mm -71.35 -23.98 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.402 -174.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -61.41 -20.68 63.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.063 0.458 . . . . 74.12 110.615 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -72.47 -19.69 61.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 73.21 110.85 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.3 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.461 . . . . 64.44 110.603 -176.852 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.553 0.216 . . . . 74.4 111.275 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -122.88 110.63 15.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.297 0.57 . . . . 72.33 110.643 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 4.9 mmmp? -136.4 146.78 46.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.346 0.593 . . . . 74.5 111.039 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.63 109.1 4.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 73.31 110.54 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -93.77 -27.61 16.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 75.02 109.512 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD11 HG21 ' A' ' 35' ' ' VAL . 57.0 mt -138.12 172.14 13.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.413 -0.812 . . . . 74.25 109.52 -176.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -137.73 114.61 10.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.735 0.302 . . . . 74.43 110.518 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.29 28.53 73.67 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 116.051 -0.522 . . . . 64.13 113.836 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 24' ' ' LEU . 8.9 mp -92.8 111.78 23.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.587 0.693 . . . . 75.41 109.479 173.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.33 178.0 4.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.473 -0.33 . . . . 74.34 110.424 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.77 -36.21 74.02 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.103 0.408 . . . . 75.04 112.103 -170.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -65.36 -37.4 86.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 75.22 110.856 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -83.97 -34.75 24.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.568 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -20.13 65.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.867 -0.606 . . . . 63.43 110.964 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.506 ' HA ' HG21 ' A' ' 36' ' ' ILE . 2.7 t-20 -60.52 -31.64 70.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.351 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' HG3' ' HH ' ' A' ' 75' ' ' TYR . 24.7 mm-40 -62.69 -47.91 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.367 0.603 . . . . 73.13 110.522 175.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.721 HG21 HD11 ' A' ' 24' ' ' LEU . 84.5 t -73.44 -45.05 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 74.23 111.492 -174.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.506 HG21 ' HA ' ' A' ' 33' ' ' ASN . 9.9 tp -62.78 -30.68 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 75.35 110.262 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.88 -51.22 58.02 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.282 -0.417 . . . . 75.13 111.497 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.52 ' O ' ' HD2' ' A' ' 42' ' ' HIS . 14.9 p -63.46 -33.08 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.682 0.277 . . . . 74.44 110.892 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.509 HD21 HG11 ' A' ' 38' ' ' VAL . 4.3 mm? -70.83 -52.5 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 63.42 110.556 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.28 -34.08 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 72.33 111.131 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 tpt -56.88 -33.98 67.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 74.14 111.53 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.52 ' HD2' ' O ' ' A' ' 38' ' ' VAL . 87.1 m-70 -94.44 7.62 44.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.706 -0.225 . . . . 73.21 111.08 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 58.47 55.7 4.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.401 0.619 . . . . 65.21 111.07 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.578 HD13 ' HB3' ' A' ' 64' ' ' ASP . 12.9 tt -120.61 151.33 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.469 -0.567 . . . . 71.15 109.469 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.57 98.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.388 0.43 . . . . 74.41 110.507 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.35 115.98 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.085 -0.507 . . . . 74.12 110.229 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -117.03 132.96 56.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.789 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 6.4 ttpm? -89.77 118.8 29.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 75.4 110.186 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.495 HD13 ' HB ' ' A' ' 59' ' ' THR . 26.2 pt -113.89 135.27 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 74.51 111.896 -175.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -109.95 139.96 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 73.21 110.076 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 66.8 m -158.41 169.8 23.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.994 -0.373 . . . . 61.13 109.994 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.67 -49.58 23.47 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.045 -0.598 . . . . 72.53 113.697 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.247 0.546 . . . . 61.42 110.707 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 6.1 tt -105.95 -40.48 5.68 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.507 -0.77 . . . . 74.51 111.61 -170.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.26 -111.23 3.27 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.85 -0.9 . . . . 73.4 110.85 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 20.6 m-85 -119.68 131.53 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.926 0.393 . . . . 73.31 110.115 172.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' HB2' HD23 ' A' ' 54' ' ' LEU . 66.5 m -150.0 174.24 12.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.792 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 36' ' ' ILE . 25.4 mm -116.94 124.72 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.768 -0.651 . . . . 75.33 109.903 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.495 ' HB ' HD13 ' A' ' 49' ' ' ILE . 5.5 t -114.86 162.19 17.23 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.957 -0.757 . . . . 63.15 108.957 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.42 HG23 ' HB1' ' A' ' 68' ' ' ALA . 32.4 m -132.43 174.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.626 -0.261 . . . . 73.25 110.552 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.82 137.44 12.51 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.581 0.551 . . . . 75.03 110.012 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 22.1 tt0 -55.0 -48.21 96.57 Favored Pre-proline 0 CA--C 1.545 0.759 0 N-CA-C 112.862 0.69 . . . . 75.35 112.862 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.0 Cg_exo -67.95 -22.08 42.61 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.957 1.772 . . . . 73.5 112.199 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.578 ' HB3' HD13 ' A' ' 44' ' ' ILE . 13.2 m-20 -89.77 11.79 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 75.23 111.316 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -50.67 -41.73 55.89 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.959 -0.564 . . . . 71.42 111.592 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -61.1 -36.21 79.07 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 63.14 111.708 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.37 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.592 0.234 . . . . 72.43 111.026 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.608 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.31 -56.24 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.738 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG11 ' HE2' ' A' ' 73' ' ' LYS . 28.5 t -63.27 -32.33 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.622 -0.717 . . . . 74.52 110.662 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -65.7 -41.48 92.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.91 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.51 ' O ' HG21 ' A' ' 74' ' ' THR . 5.3 m95 -74.03 -23.39 59.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 72.01 111.218 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 68' ' ' ALA . 42.3 mm -82.43 -11.92 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.514 . . . . 75.41 110.641 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HE2' HG11 ' A' ' 69' ' ' VAL . 74.7 mmtt -63.63 -25.23 68.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.215 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.51 HG21 ' O ' ' A' ' 71' ' ' TRP . 14.4 t -88.56 -2.25 58.49 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.971 0.415 . . . . 74.51 110.616 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.457 ' HH ' ' HG3' ' A' ' 34' ' ' GLU . 55.0 t80 -109.17 2.37 20.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.238 0.542 . . . . 74.12 110.315 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.878 -0.582 . . . . 73.44 110.062 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 111.739 0.274 . . . . 73.31 111.739 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -103.94 106.2 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.93 -0.308 . . . . 73.53 110.513 -177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HE3' ' OE2' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -119.69 126.43 51.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.095 0.474 . . . . 74.53 110.874 178.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.16 112.78 15.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 63.24 111.37 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 68' ' ' ALA . 9.0 mp -111.65 -63.92 1.35 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.838 0.351 . . . . 75.42 111.931 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 27' ' ' LEU . 58.9 mt -99.03 174.76 6.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 71.01 110.391 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -143.42 115.29 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 74.24 110.295 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.48 2.33 90.46 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.817 -0.706 . . . . 73.32 114.01 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 24' ' ' LEU . 7.7 mp -85.03 92.7 8.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.469 0.635 . . . . 71.15 110.438 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.589 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 18.2 t70 -63.22 167.38 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 71.22 110.033 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -53.0 -34.99 58.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.209 0.448 . . . . 64.11 112.209 -172.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.62 -34.49 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.641 0.258 . . . . 71.24 111.175 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -86.82 -38.1 17.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.358 0.599 . . . . 73.02 109.72 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.67 64.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.212 -0.904 . . . . 52.42 111.514 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -46.23 -45.41 16.98 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.665 0.603 . . . . 75.54 111.559 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.68 -41.81 95.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.195 0.521 . . . . 72.43 110.51 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 38' ' ' VAL . 58.4 t -65.95 -52.04 53.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.788 -0.642 . . . . 74.31 111.688 -177.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 tt -63.93 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.1 0.476 . . . . 65.23 110.887 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 64.43 111.614 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.9 p -71.3 -32.76 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.731 -0.388 . . . . 63.33 110.506 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.59 -50.63 64.39 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.725 -0.472 . . . . 73.2 109.725 175.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.83 -41.13 95.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 71.42 111.301 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -63.2 -38.48 91.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 72.41 111.184 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -87.34 7.4 29.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.613 -0.267 . . . . 71.55 111.287 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 31.59 20.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.376 0.608 . . . . 64.23 111.384 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 tt -104.26 132.53 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.226 -0.657 . . . . 65.25 109.226 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.88 134.12 49.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.353 0.597 . . . . 65.11 111.627 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.94 148.99 50.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.127 -0.942 . . . . 74.44 110.08 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -128.72 172.36 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.278 -0.419 . . . . 71.15 110.485 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -101.81 132.55 47.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 74.24 110.714 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.463 HG23 HG23 ' A' ' 59' ' ' THR . 3.0 pt -116.53 120.9 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.974 0.416 . . . . 74.12 111.453 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -103.06 128.91 49.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.76 -0.655 . . . . 63.4 110.244 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.5 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 42.5 m -151.97 153.49 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.512 -0.551 . . . . 63.03 109.512 176.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.81 -49.53 70.08 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.457 0.543 . . . . 64.53 114.457 -172.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -91.5 -11.0 38.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.695 0.748 . . . . 71.13 110.631 -178.032 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 36.8 tp -81.47 -48.56 11.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 53.23 110.822 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.17 -86.57 1.2 Allowed Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.536 -0.756 . . . . 51.23 111.602 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.589 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -139.78 127.53 21.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.665 0.269 . . . . 75.24 110.565 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.9 m -151.81 166.5 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.493 -0.322 . . . . 74.23 110.745 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.414 HG13 HG12 ' A' ' 35' ' ' VAL . 20.7 mm -99.35 127.75 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.009 -0.541 . . . . 73.43 109.751 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.463 HG23 HG23 ' A' ' 49' ' ' ILE . 13.3 t -114.28 158.99 20.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.916 0.389 . . . . 71.42 110.099 177.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 ' HB1' ' A' ' 68' ' ' ALA . 26.8 m -137.18 175.79 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.732 -0.667 . . . . 75.43 109.555 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.0 147.17 0.52 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.8 0.688 . . . . 63.13 111.141 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 21.3 tp10 -50.46 -54.17 37.83 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.881 0.697 . . . . 73.23 112.881 -169.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -85.44 -4.28 9.31 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.424 2.083 . . . . 52.53 113.298 -176.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.81 24.68 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.884 0.373 . . . . 64.21 111.567 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' HB2' ' HG2' ' A' ' 21' ' ' LYS . 79.3 t80 -60.92 -36.43 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 71.5 110.25 176.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -59.27 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 74.14 110.777 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.0 78.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.895 -0.593 . . . . 71.13 110.69 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.53 -49.48 72.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.593 . . . . 74.11 111.271 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.71 -36.14 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 63.43 111.226 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.3 -37.12 84.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.57 -0.286 . . . . 73.43 110.558 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -70.63 -29.49 65.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.019 0.438 . . . . 73.21 110.35 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -74.34 -31.0 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.189 0.519 . . . . 74.25 109.815 174.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.31 -35.8 81.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.24 110.4 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.3 p -75.63 -5.48 45.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.903 0.382 . . . . 74.1 111.605 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.415 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -96.45 4.8 51.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.055 0.455 . . . . 75.21 110.618 176.248 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.694 -0.67 . . . . 75.15 109.632 178.746 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.691 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 3.3 ttmp? . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.087 0.47 . . . . 70.33 110.064 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -161.39 27.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.409 -0.814 . . . . 73.44 110.271 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -75.44 120.69 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.957 -0.565 . . . . 63.23 110.102 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.52 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 15.4 p-10 -79.01 105.96 10.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.742 0.782 . . . . 74.1 110.912 -177.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 tp -79.75 -22.82 42.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.62 -1.173 . . . . 75.21 110.213 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.737 HD11 HG11 ' A' ' 35' ' ' VAL . 46.7 mt -135.13 160.51 38.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.56 -0.904 . . . . 71.01 108.56 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HE2' ' OD2' ' A' ' 22' ' ' ASP . 86.4 mttt -136.54 116.7 13.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.583 -0.447 . . . . 72.23 111.455 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.64 3.9 87.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.668 -0.696 . . . . 72.24 112.863 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD21 HD12 ' A' ' 24' ' ' LEU . 16.2 tp -77.84 135.74 37.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.302 -0.258 . . . . 71.31 110.302 -177.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.528 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 13.8 t70 -80.09 157.51 26.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.293 -0.412 . . . . 74.43 109.921 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.79 -32.53 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.539 -0.3 . . . . 72.44 111.28 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 11.6 pt-20 -67.19 -31.78 72.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.173 0.511 . . . . 71.23 110.699 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -86.69 -26.85 24.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 74.32 110.08 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.85 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.646 -0.706 . . . . 72.14 111.222 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.23 -39.6 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.345 . . . . 74.32 110.677 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.51 -29.31 67.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.46 . . . . 75.34 110.498 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.737 HG11 HD11 ' A' ' 24' ' ' LEU . 96.7 t -76.97 -50.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 71.31 110.708 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.422 ' HA ' HD21 ' A' ' 39' ' ' LEU . 14.9 tt -62.61 -22.6 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 71.43 110.505 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.03 79.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 52.21 111.541 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 35' ' ' VAL . 6.3 p -71.29 -29.21 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 121.032 0.444 . . . . 75.01 110.444 -177.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 36' ' ' ILE . 3.0 mm? -75.71 -48.42 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 74.04 110.035 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.49 -37.86 88.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 73.32 111.055 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.54 -34.98 76.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.258 -0.428 . . . . 75.21 111.07 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -92.06 3.12 55.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 72.04 111.193 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 60.05 38.39 20.62 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.147 -0.478 . . . . 71.31 111.845 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.0 tt -99.22 150.2 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.673 -0.492 . . . . 73.54 109.673 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.88 111.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 73.34 110.763 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.9 113.98 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.925 0.393 . . . . 64.22 110.605 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.92 149.81 27.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.361 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -97.63 137.29 36.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.686 0.279 . . . . 72.14 110.294 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.882 HD11 ' HB ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -117.72 130.59 72.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.279 -0.419 . . . . 64.03 110.854 178.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.76 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 53.3 111.258 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 55.8 m -158.14 157.61 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.69 -0.485 . . . . 75.32 109.69 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.07 67.25 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.934 -0.651 . . . . 75.11 112.375 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -9.65 46.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.117 0.484 . . . . 71.52 111.079 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.512 HD11 HD12 ' A' ' 49' ' ' ILE . 9.8 tt -113.9 -51.87 2.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.705 -0.679 . . . . 74.51 111.713 -166.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -113.32 3.84 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.624 -0.99 . . . . 74.12 110.624 -173.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -128.01 120.42 27.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.865 0.364 . . . . 74.22 110.129 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.442 ' HB2' HD21 ' A' ' 54' ' ' LEU . 62.2 m -136.58 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.131 0.491 . . . . 72.05 111.044 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mm -109.19 109.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.078 -0.965 . . . . 73.4 109.606 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.882 ' HB ' HD11 ' A' ' 49' ' ' ILE . 15.0 t -99.16 142.25 30.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.219 0.533 . . . . 64.35 110.132 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.07 173.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.426 -0.806 . . . . 61.23 109.237 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.691 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . . . -56.99 144.09 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.275 0.36 . . . . 73.41 110.398 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 14.0 mp0 -53.69 -47.58 96.15 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.009 -0.541 . . . . 75.32 112.363 -176.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 16.7 Cg_endo -58.83 -39.81 78.14 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.934 1.756 . . . . 64.31 112.702 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.62 0.14 56.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.477 -0.329 . . . . 74.45 111.437 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.8 t80 -61.92 -31.53 71.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 72.45 110.658 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 t -59.84 -39.8 86.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 42.11 110.873 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.61 97.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.344 -0.389 . . . . 64.02 110.438 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.26 -39.46 82.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.942 -0.572 . . . . 63.04 110.636 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 65' ' ' PHE . 72.1 t -61.06 -44.07 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 72.11 110.62 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -61.84 -41.08 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 74.04 111.052 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -62.25 -45.65 92.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.753 0.311 . . . . 75.4 110.703 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 68' ' ' ALA . 40.4 mm -68.55 -34.26 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 64.43 110.499 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 55.1 mmtt -64.98 -16.8 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 64.44 111.307 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m -90.01 -20.53 23.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.246 0.546 . . . . 74.32 110.299 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -88.86 -43.6 11.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.13 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.608 -0.71 . . . . 75.41 109.807 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.5 mttt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 108.857 -0.794 . . . . 73.42 108.857 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -168.46 25.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.64 -0.709 . . . . 72.34 111.19 -165.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.2 117.09 29.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.987 0.422 . . . . 72.1 111.568 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.826 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 1.8 m-20 -60.86 105.83 0.51 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.466 -0.788 . . . . 74.03 110.676 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -90.23 -62.45 1.46 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.331 0.586 . . . . 62.05 109.878 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 27' ' ' LEU . 34.8 mt -112.16 138.55 48.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.532 -0.758 . . . . 73.41 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.826 ' HD2' ' HB3' ' A' ' 22' ' ' ASP . 3.7 mppt? -124.83 116.89 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.647 0.26 . . . . 74.14 110.862 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.92 8.42 51.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.845 -0.693 . . . . 65.52 112.895 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD21 HD11 ' A' ' 24' ' ' LEU . 7.5 mp -102.36 131.06 49.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 74.3 111.0 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -82.53 170.99 14.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.111 -0.7 . . . . 52.14 109.111 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.986 0.365 . . . . 74.45 111.986 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.823 0.344 . . . . 63.23 111.121 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -86.12 -41.23 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 70.1 109.721 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.98 -18.46 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.459 -0.791 . . . . 71.21 110.713 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HA ' HG23 ' A' ' 36' ' ' ILE . 24.4 t-20 -51.65 -39.02 57.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.783 -0.644 . . . . 74.13 110.877 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.48 -35.79 70.65 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.628 -0.715 . . . . 73.34 111.005 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 24' ' ' LEU . 88.1 t -87.64 -49.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.387 -0.824 . . . . 71.4 111.511 -174.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.508 HG23 ' HA ' ' A' ' 33' ' ' ASN . 13.5 tt -57.36 -33.62 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.803 0.335 . . . . 74.25 111.389 -175.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.16 81.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 63.14 110.775 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -62.82 -46.8 95.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.76 -0.655 . . . . 63.5 111.098 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.504 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.3 mm? -63.71 -47.85 79.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.09 -0.505 . . . . 73.32 110.702 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 45.8 mt-30 -63.98 -32.13 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 61.13 110.556 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -64.55 -29.96 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 73.31 111.128 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -97.48 6.13 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.352 -0.385 . . . . 74.01 111.313 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t30 54.2 43.18 30.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.639 -0.71 . . . . 70.31 110.759 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.429 HG23 HD11 ' A' ' 39' ' ' LEU . 12.5 tt -102.96 138.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.798 -0.816 . . . . 65.14 108.798 174.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.27 109.0 2.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.056 -0.52 . . . . 71.43 111.495 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' HB2' HG22 ' A' ' 58' ' ' ILE . . . -104.52 131.01 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.863 -0.608 . . . . 74.55 110.917 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.522 ' HB2' HG23 ' A' ' 59' ' ' THR . 41.4 m-80 -111.51 154.61 24.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 73.33 109.577 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -100.9 113.88 27.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.816 0.341 . . . . 71.21 110.789 -172.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.648 HD11 ' HB ' ' A' ' 59' ' ' THR . 11.4 pt -115.59 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 74.33 111.052 177.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.64 141.45 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.348 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.429 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 70.2 m -162.22 165.35 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.995 -0.372 . . . . 72.43 109.995 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.37 -43.06 71.82 Favored Glycine 0 C--O 1.23 -0.139 0 C-N-CA 120.729 -0.748 . . . . 75.2 111.851 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HZ2' ' CG ' ' A' ' 22' ' ' ASP . 26.2 pttt -70.31 -15.04 62.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.14 0.495 . . . . 64.43 111.369 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 28.7 tp -113.93 -47.19 2.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.817 -0.628 . . . . 75.01 112.102 -164.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.76 -122.57 6.58 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.854 -1.298 . . . . 73.12 109.854 -169.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.03 118.36 26.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.236 -0.653 . . . . 73.31 109.236 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.64 164.2 18.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 73.4 111.594 -172.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.504 HG21 ' HG ' ' A' ' 39' ' ' LEU . 37.6 mm -106.93 103.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.416 -0.811 . . . . 74.43 109.868 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.648 ' HB ' HD11 ' A' ' 49' ' ' ILE . 13.2 t -99.2 134.07 42.59 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.231 -0.655 . . . . 75.42 109.231 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -113.76 175.86 2.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.496 -0.557 . . . . 75.41 109.496 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 64' ' ' ASP . . . -44.39 137.89 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.739 0.649 . . . . 72.22 110.664 176.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.9 tp10 -52.17 -52.6 60.85 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.534 0.568 . . . . 75.11 112.534 -170.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 11.8 Cg_exo -72.46 -19.34 25.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.958 1.772 . . . . 64.24 112.163 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.543 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . 14.0 m-20 -90.48 2.14 56.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 71.21 111.209 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -60.65 -27.92 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.413 . . . . 74.41 110.129 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 3.8 t -56.05 -41.32 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.633 -0.712 . . . . 74.21 110.875 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.3 69.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 72.43 110.825 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.46 -46.16 66.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.879 -0.6 . . . . 73.15 111.386 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.25 -42.29 86.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.212 -0.449 . . . . 75.51 111.39 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.409 ' HD2' ' O ' ' A' ' 66' ' ' THR . 60.7 m-85 -77.19 -22.34 52.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.33 -0.395 . . . . 75.51 112.035 -176.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 1.6 m95 -70.59 -33.53 71.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.694 -0.484 . . . . 74.02 109.694 174.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 68' ' ' ALA . 26.2 mm -67.87 -25.35 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.357 0.598 . . . . 72.32 109.827 176.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 70' ' ' TYR . 74.0 mmtt -65.53 -16.7 63.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.587 -0.733 . . . . 75.5 111.32 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -89.76 -4.3 57.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.507 . . . . 74.42 110.593 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -90.36 88.11 7.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.279 0.562 . . . . 65.11 109.702 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 C--O 1.253 1.248 0 CA-C-N 115.626 -0.715 . . . . 75.34 110.455 -177.13 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mttp . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.993 0.425 . . . . 75.1 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.43 60.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.428 0.632 . . . . 72.33 110.27 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.78 123.62 38.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.336 -0.616 . . . . 75.12 109.336 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -74.67 104.46 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.599 -0.519 . . . . 74.42 109.599 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -96.4 -31.49 12.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.033 -0.531 . . . . 74.21 110.395 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD11 HG13 ' A' ' 35' ' ' VAL . 47.3 mt -128.0 162.38 26.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.53 -0.915 . . . . 61.13 108.53 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -135.43 115.79 13.54 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.704 -0.398 . . . . 73.24 111.412 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.09 10.03 86.52 Favored Glycine 0 CA--C 1.52 0.369 0 CA-C-N 115.97 -0.559 . . . . 73.24 114.188 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD23 HD12 ' A' ' 24' ' ' LEU . 9.5 mp -78.45 155.75 29.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.412 0.625 . . . . 73.03 111.813 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -98.63 170.62 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.237 -0.892 . . . . 65.31 110.538 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -46.16 71.16 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.559 0.743 . . . . 73.43 112.04 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.66 -29.87 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.317 . . . . 72.4 111.267 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.43 -41.09 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.368 0.604 . . . . 75.44 109.756 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.64 -20.67 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.504 -0.771 . . . . 64.52 110.801 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.61 -43.98 96.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 74.43 110.392 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.51 -40.96 93.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 72.2 110.286 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.629 HG13 HD11 ' A' ' 24' ' ' LEU . 45.9 t -65.37 -49.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 75.5 111.254 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.3 tt -63.25 -29.32 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.703 -0.226 . . . . 74.43 110.808 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.013 0.435 . . . . 55.4 110.135 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.01 -43.48 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 75.13 110.48 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.74 -45.96 73.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 63.43 110.577 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.77 -41.58 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 73.33 111.595 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ptp -70.74 -13.49 62.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 71.12 110.667 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -97.24 1.2 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.452 -0.34 . . . . 75.24 110.124 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 61.15 28.19 17.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 73.21 111.947 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 64' ' ' ASP . 9.5 tt -97.19 149.42 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 74.04 110.224 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.38 104.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 71.13 110.47 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.51 129.01 56.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 75.02 110.925 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -116.92 151.17 37.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 65.23 109.743 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.29 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.395 -0.366 . . . . 75.23 110.202 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 pt -96.87 116.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.347 0.594 . . . . 65.42 111.026 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.99 104.51 13.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.236 -0.893 . . . . 71.41 109.743 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -142.84 142.99 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 73.23 110.379 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.03 -29.72 75.24 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.3 -0.476 . . . . 44.43 113.152 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 54' ' ' LEU . 44.3 pttt -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 74.41 111.499 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 16.1 tp -113.63 -30.92 6.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 53.01 112.113 -165.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.93 -117.51 5.61 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.541 -0.838 . . . . 74.03 111.074 -175.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -122.89 121.6 36.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 72.44 110.049 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m -149.47 166.67 28.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.01 0.433 . . . . 73.25 111.056 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.2 mm -99.41 152.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.67 . . . . 72.21 109.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 t -145.16 162.62 36.63 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.005 -0.739 . . . . 64.11 109.005 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 m -125.98 173.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.604 0.24 . . . . 51.24 110.542 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 169.19 6.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.031 -0.532 . . . . 65.43 110.573 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 1.5 mp0 -57.01 -54.07 58.48 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 112.447 0.536 . . . . 74.32 112.447 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 7.9 Cg_exo -73.05 -21.43 20.64 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.313 2.009 . . . . 70.44 112.79 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.568 ' HB3' HD13 ' A' ' 44' ' ' ILE . 3.6 m-20 -90.2 7.06 40.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.114 -0.494 . . . . 71.5 111.457 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.08 -39.62 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 73.15 111.947 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -68.4 -24.96 64.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.378 -0.374 . . . . 54.44 111.754 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -38.46 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.323 -0.235 . . . . 74.21 111.123 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.01 -40.57 67.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.95 -0.568 . . . . 70.32 111.823 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.02 -49.1 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 53.02 111.459 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.18 -27.96 63.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.383 -0.371 . . . . 74.21 111.821 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 2.4 m95 -73.24 -35.75 66.31 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.604 -0.438 . . . . 73.24 110.252 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.3 mm -73.01 -33.61 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 53.54 110.009 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -59.75 -24.42 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.789 -0.641 . . . . 72.32 110.424 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -93.53 -9.28 38.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.979 -0.555 . . . . 73.42 111.002 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -77.8 -44.94 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.431 -0.349 . . . . 75.24 110.595 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.688 -0.672 . . . . 72.14 109.695 179.261 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.078 -0.712 . . . . 74.34 109.078 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 69.86 30.34 3.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.272 0.558 . . . . 62.02 110.683 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.39 131.05 38.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.646 -0.706 . . . . 70.11 109.677 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.98 105.28 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.381 -0.6 . . . . 60.03 109.381 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 tp -94.64 -39.31 10.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 75.5 110.983 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD11 HG13 ' A' ' 35' ' ' VAL . 82.6 mt -121.16 161.78 21.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.526 -0.546 . . . . 73.22 109.526 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -124.82 115.95 21.49 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.886 -0.326 . . . . 71.34 110.959 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.63 46.88 80.62 Favored Glycine 0 C--N 1.33 0.227 0 O-C-N 123.82 0.7 . . . . 65.15 113.73 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 33.6 tp -113.22 128.04 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.911 -0.404 . . . . 72.44 109.911 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -78.74 157.84 28.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.689 0.281 . . . . 74.14 110.557 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.531 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 52.9 tt0 -60.73 -30.32 69.91 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 74.42 112.224 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.8 -42.02 88.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.896 0.379 . . . . 74.23 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -87.11 -27.29 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.09 0.472 . . . . 74.44 110.634 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -65.69 -19.81 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.977 -0.556 . . . . 64.55 110.928 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.27 -38.69 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 72.33 110.78 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -72.5 -22.39 61.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 72.45 110.652 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.606 ' O ' HG11 ' A' ' 38' ' ' VAL . 61.2 t -88.92 -51.56 12.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.71 -0.677 . . . . 72.31 110.884 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.11 -26.15 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 72.33 111.335 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.25 85.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 75.21 111.526 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.606 HG11 ' O ' ' A' ' 35' ' ' VAL . 5.5 p -73.05 -20.01 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.941 0.4 . . . . 65.44 110.862 -176.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' HG23 ' A' ' 58' ' ' ILE . 3.1 mm? -83.29 -58.66 2.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 63.03 110.156 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.75 -43.62 98.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.669 -0.696 . . . . 64.31 112.004 -172.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.26 -26.85 68.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 73.3 111.486 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -96.77 6.57 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.835 0.35 . . . . 74.02 110.675 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.7 m120 62.25 27.27 16.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.589 -0.732 . . . . 73.03 112.522 172.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.2 tt -84.68 151.93 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 72.01 108.738 172.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 60' ' ' VAL . 9.0 tp10 -54.26 100.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.846 0.355 . . . . 74.24 110.488 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -111.7 114.02 26.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.184 -0.462 . . . . 72.23 110.619 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.595 ' HB3' HG22 ' A' ' 59' ' ' THR . 15.2 t-20 -123.7 155.61 37.51 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.236 -0.654 . . . . 71.14 109.236 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -111.69 111.65 22.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 74.22 110.633 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.402 HG22 ' CG2' ' A' ' 59' ' ' THR . 8.3 pt -99.0 130.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 64.34 111.365 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.39 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.659 -0.7 . . . . 64.34 109.166 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.6 m -148.87 151.96 35.62 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.223 -0.288 . . . . 72.5 110.223 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.15 99.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.138 -0.553 . . . . 72.02 112.965 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -82.66 -11.74 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 75.0 111.087 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 15.0 tp -113.98 -50.2 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.262 -0.426 . . . . 75.44 112.052 -166.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.1 -105.38 3.27 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.827 -0.701 . . . . 51.32 111.774 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.554 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 73.5 m-85 -116.89 122.85 45.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.739 0.304 . . . . 74.41 110.594 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.5 m -150.08 160.24 43.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.99 0.424 . . . . 73.12 110.959 174.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.471 HG23 ' HG ' ' A' ' 39' ' ' LEU . 24.3 mm -102.16 130.31 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.592 -0.731 . . . . 54.32 109.343 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.595 HG22 ' HB3' ' A' ' 47' ' ' ASN . 11.1 t -116.92 143.49 45.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.071 0.462 . . . . 70.1 109.859 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 45' ' ' GLU . 33.8 m -114.26 173.09 3.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.423 -0.808 . . . . 62.41 109.187 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB1' ' OD2' ' A' ' 64' ' ' ASP . . . -60.5 152.38 26.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.748 -0.464 . . . . 71.2 109.748 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.548 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.3 tt0 -52.8 -51.45 73.94 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 74.13 112.771 -173.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 12.9 Cg_exo -70.66 -13.56 32.52 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 75.2 112.786 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.438 ' OD2' ' HB1' ' A' ' 61' ' ' ALA . 32.7 m-20 -97.13 2.41 51.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 73.23 111.346 -175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.63 -34.41 74.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.383 . . . . 73.43 110.943 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -58.68 -32.84 69.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.883 -0.599 . . . . 74.3 111.425 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.31 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.318 . . . . 73.43 110.56 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.563 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.02 -50.06 69.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 55.3 111.003 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.442 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 57.7 t -61.32 -38.2 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 70.15 110.665 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.58 -38.82 92.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 72.33 110.615 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -69.54 -37.54 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.902 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 68' ' ' ALA . 36.3 mm -65.76 -28.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 53.21 110.045 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 71.1 mmtt -70.99 -17.17 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 71.24 111.199 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 m -86.23 -8.89 57.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.229 0.538 . . . . 73.15 110.477 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -71.82 138.42 48.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 74.53 109.765 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.563 -0.732 . . . . 74.34 110.87 -176.147 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 5.9 tppt? . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.646 -0.501 . . . . 75.14 109.646 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.21 34.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.385 0.513 . . . . 75.52 112.385 -168.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HE3' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -85.5 116.17 23.65 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.547 -0.461 . . . . 75.23 110.193 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -69.89 124.83 25.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.119 -0.491 . . . . 71.44 110.844 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD22 ' HB ' ' A' ' 58' ' ' ILE . 45.2 tp -106.5 -23.34 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 75.33 110.294 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.736 HD11 HG11 ' A' ' 35' ' ' VAL . 44.3 mt -140.08 160.42 39.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.009 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -129.24 115.68 18.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.708 0.289 . . . . 64.4 110.892 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.28 51.72 52.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.121 -0.561 . . . . 73.12 113.549 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 24' ' ' LEU . 8.6 mp -109.85 149.85 29.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.941 0.4 . . . . 70.1 110.187 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.14 172.8 7.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.962 -0.563 . . . . 73.54 110.038 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -58.87 -39.47 81.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.386 -0.37 . . . . 63.54 111.324 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.7 -30.9 71.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 71.25 111.076 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -78.24 -42.69 30.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 73.3 109.972 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.47 -20.1 66.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 64.35 111.398 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -57.48 -44.74 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 73.44 110.993 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -74.62 -33.32 62.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.205 0.526 . . . . 71.42 110.223 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.736 HG11 HD11 ' A' ' 24' ' ' LEU . 76.3 t -66.55 -50.71 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.544 -0.753 . . . . 71.32 111.459 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 tt -67.28 -23.8 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.963 0.411 . . . . 72.13 110.649 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.65 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 74.32 111.516 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 35' ' ' VAL . 8.6 p -71.28 -29.63 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.79 0.329 . . . . 74.32 110.824 -177.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD23 HG12 ' A' ' 38' ' ' VAL . 3.4 mm? -71.31 -51.75 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 60.13 110.048 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.73 -31.22 72.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 74.44 110.616 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.2 ttt -58.81 -34.82 71.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.574 . . . . 74.33 110.887 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -96.55 16.69 18.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.303 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 m120 62.89 19.33 11.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.913 0.709 . . . . 75.54 112.913 171.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.7 tt -97.67 129.57 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.524 -0.547 . . . . 72.42 109.524 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -66.76 122.6 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 71.43 111.339 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.58 128.99 55.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.119 -0.946 . . . . 63.13 110.512 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.41 ' HB2' HG22 ' A' ' 59' ' ' THR . 11.9 m120 -107.27 175.94 5.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.74 -0.664 . . . . 71.44 110.165 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -111.04 121.44 45.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.117 -0.492 . . . . 75.13 111.148 -173.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.45 HG21 ' CG2' ' A' ' 59' ' ' THR . 3.7 pt -109.19 106.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.093 0.473 . . . . 74.2 109.841 170.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.44 142.35 40.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.63 -0.714 . . . . 73.4 110.532 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.466 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 50.7 m -154.69 159.67 40.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 70.33 109.746 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.44 97.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.115 -0.564 . . . . 74.24 112.818 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 5.1 tptm -90.05 -39.44 12.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.657 0.265 . . . . 73.32 111.089 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 17.9 tp -70.41 -32.44 70.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.43 -0.35 . . . . 74.34 111.268 -174.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.36 -129.12 9.13 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.734 -0.745 . . . . 75.42 111.591 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.72 119.36 38.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.896 0.379 . . . . 70.13 110.058 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -136.88 158.85 43.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.377 -0.374 . . . . 75.41 110.343 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.426 ' HB ' HD22 ' A' ' 23' ' ' LEU . 42.4 mm -101.38 126.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.596 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.45 ' CG2' HG21 ' A' ' 49' ' ' ILE . 10.3 t -113.08 136.54 52.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.741 -0.837 . . . . 64.21 108.741 170.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 68' ' ' ALA . 34.7 m -113.47 175.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 109.159 -0.682 . . . . 75.42 109.159 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.99 114.22 0.58 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.918 -0.771 . . . . 53.32 108.918 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.44 -44.21 98.62 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.021 0.748 . . . . 64.42 113.021 -168.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.77 -17.71 56.5 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.914 1.743 . . . . 74.44 112.844 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.3 16.91 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.429 -0.351 . . . . 64.11 110.97 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -59.71 -27.7 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.047 0.451 . . . . 73.32 110.669 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -55.59 -37.68 68.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.738 -0.665 . . . . 74.44 111.115 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.71 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.373 -0.376 . . . . 74.55 110.429 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.65 -50.49 65.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.993 -0.549 . . . . 63.03 110.814 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.62 -42.37 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.821 -0.627 . . . . 74.35 110.896 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -66.11 -40.04 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 75.33 111.156 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.405 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.4 m95 -69.27 -44.18 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.955 -0.298 . . . . 64.24 110.647 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.514 ' CD1' HG12 ' A' ' 35' ' ' VAL . 41.9 mm -68.98 -27.69 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.1 110.943 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 12.7 tppt? -64.83 -22.85 67.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.262 0.553 . . . . 71.34 110.162 177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 m -90.55 -9.02 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.551 -0.75 . . . . 74.35 110.673 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -77.53 91.12 3.92 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.571 -0.529 . . . . 74.01 109.571 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.06 -0.971 . . . . 75.42 109.628 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.795 ' HB2' ' HZ3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.802 0.334 . . . . 75.14 110.622 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -130.64 22.79 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.0 0.429 . . . . 74.13 111.203 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -79.38 123.0 27.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.221 -0.445 . . . . 72.41 109.868 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.543 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 5.1 p-10 -77.57 124.56 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.442 0.639 . . . . 73.13 110.551 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -95.37 -24.0 16.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.32 -0.854 . . . . 73.54 110.845 -176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.528 HD12 HD23 ' A' ' 27' ' ' LEU . 50.7 mt -127.69 167.78 15.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 73.33 110.035 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.624 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.3 mmpt? -118.28 115.44 24.72 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 122.91 0.131 . . . . 74.2 111.327 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 54' ' ' LEU . . . 49.32 66.51 2.18 Favored Glycine 0 C--N 1.335 0.514 0 O-C-N 123.615 0.572 . . . . 44.34 114.52 172.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 24' ' ' LEU . 3.8 mp -113.38 139.43 48.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.959 0.409 . . . . 74.33 111.305 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 17.6 t70 -78.97 165.13 23.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.804 -0.635 . . . . 71.44 109.436 174.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -56.92 -38.33 72.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.626 -0.261 . . . . 75.51 111.548 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 6.8 pt-20 -67.36 -37.8 83.77 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.959 -0.296 . . . . 75.42 111.1 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.79 -37.47 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.996 0.427 . . . . 74.14 110.549 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.94 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 53.44 111.082 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.542 ' HA ' HG23 ' A' ' 36' ' ' ILE . 27.8 t-20 -60.26 -35.99 76.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.147 -0.478 . . . . 65.33 110.608 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.6 -37.99 85.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 65.41 110.716 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.508 HG11 HD11 ' A' ' 24' ' ' LEU . 88.9 t -81.78 -46.32 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.63 . . . . 75.31 111.348 -176.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.542 HG23 ' HA ' ' A' ' 33' ' ' ASN . 16.0 tt -62.49 -29.29 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.717 0.294 . . . . 71.35 110.912 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.26 98.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.198 -0.455 . . . . 72.02 110.154 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.417 HG12 ' CE1' ' A' ' 42' ' ' HIS . 4.7 t -61.73 -48.54 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.559 . . . . 72.22 110.945 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HG ' HG22 ' A' ' 58' ' ' ILE . 4.4 mm? -55.48 -52.78 62.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.593 0.235 . . . . 71.51 110.955 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 13.3 mm-40 -68.48 -30.08 68.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.715 0.265 . . . . 74.35 111.715 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.9 tpt -69.76 -19.8 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 65.21 110.529 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.417 ' CE1' HG12 ' A' ' 38' ' ' VAL . 64.4 m80 -98.29 7.04 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 75.21 110.505 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 59.83 31.26 20.68 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.637 -0.71 . . . . 71.2 112.097 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.74 144.95 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.989 -0.374 . . . . 72.05 109.989 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.77 132.68 53.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.009 -0.541 . . . . 73.34 111.042 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.86 114.74 19.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.535 -0.757 . . . . 74.54 109.631 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.96 154.9 19.49 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.583 -0.525 . . . . 73.42 109.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -95.96 144.28 26.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.875 0.369 . . . . 74.14 110.396 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 22' ' ' ASP . 1.2 pt -120.2 89.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 44.11 109.828 171.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -83.48 117.17 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.543 -0.753 . . . . 73.15 110.53 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -154.2 140.24 18.34 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.393 -0.822 . . . . 71.32 109.852 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.82 80.21 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 121.106 -0.568 . . . . 73.54 112.398 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -63.49 -26.81 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.595 0.358 . . . . 74.04 111.856 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 57' ' ' SER . 43.9 tp -114.68 -52.39 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 61.13 112.492 -169.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.9 -115.15 4.57 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.604 -0.998 . . . . 61.21 110.604 -171.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.06 122.08 31.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.075 0.464 . . . . 74.4 110.822 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.569 ' HB2' HD21 ' A' ' 54' ' ' LEU . 68.0 m -149.71 170.77 17.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 63.3 110.369 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.542 HD11 ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -95.49 143.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.206 -0.452 . . . . 53.43 110.635 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.472 HG22 HG21 ' A' ' 49' ' ' ILE . 5.3 t -135.91 163.13 30.97 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.794 -0.817 . . . . 74.01 108.794 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.51 172.91 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.77 0.319 . . . . 73.04 110.773 -176.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . . . -68.86 160.48 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 74.53 110.108 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -53.9 -52.51 67.23 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.442 0.534 . . . . 72.1 112.442 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.59 -8.17 20.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.834 1.69 . . . . 72.32 113.166 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.532 ' OD1' ' HB2' ' A' ' 61' ' ' ALA . 10.1 m-20 -98.76 -0.23 43.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 73.34 110.408 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.81 -47.42 77.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.81 -0.632 . . . . 65.11 111.782 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -61.65 -37.26 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 75.35 111.45 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.63 94.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 74.03 110.844 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.538 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.8 -41.8 74.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 71.23 110.927 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 61.2 t -61.2 -46.97 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 75.33 111.073 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -60.71 -41.02 94.41 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.317 -0.402 . . . . 74.53 111.44 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -68.55 -39.14 81.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.59 -0.277 . . . . 75.01 110.787 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.0 mm -65.58 -38.65 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.653 -0.249 . . . . 74.31 111.016 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 42.0 mtmt -58.8 -33.22 70.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.517 . . . . 75.34 110.511 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -86.4 -15.87 39.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.589 -0.732 . . . . 60.04 110.551 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -80.32 -43.94 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.721 -0.672 . . . . 75.34 110.974 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.636 -0.697 . . . . 73.21 110.869 -176.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.934 ' HD3' ' H ' ' A' ' 20' ' ' ASP . 4.2 tmtt? . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.351 -0.611 . . . . 73.55 109.351 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.934 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 1.9 m-20 -67.16 82.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.307 0.379 . . . . 73.51 111.9 -176.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -101.7 113.82 27.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.233 -1.025 . . . . 72.44 108.233 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.62 106.17 14.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.814 0.816 . . . . 74.23 111.156 -172.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.984 HD23 HG13 ' A' ' 72' ' ' ILE . 58.8 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.884 -1.053 . . . . 60.54 110.007 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 57' ' ' SER . 51.2 mt -92.36 164.84 13.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 73.42 109.766 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -140.46 115.8 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.162 -0.31 . . . . 73.43 110.162 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 25.7 62.04 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.848 -0.691 . . . . 73.34 113.683 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD22 HD11 ' A' ' 24' ' ' LEU . 10.1 mp -102.66 151.74 22.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.177 0.488 . . . . 73.33 110.909 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -101.46 176.12 5.34 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.172 -0.677 . . . . 62.35 109.172 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -62.73 -37.1 85.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.444 0.298 . . . . 75.13 110.808 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.17 -37.67 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 73.42 111.577 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.442 ' HG3' HD21 ' A' ' 27' ' ' LEU . 52.8 tp60 -86.59 -33.32 20.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 71.34 110.406 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.69 69.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 71.53 110.533 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 74.51 110.963 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.49 -29.23 66.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.533 . . . . 74.03 110.33 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.653 HG11 HD13 ' A' ' 72' ' ' ILE . 78.3 t -77.67 -51.43 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.377 -0.828 . . . . 65.01 110.933 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HA ' HD21 ' A' ' 39' ' ' LEU . 14.3 tt -65.38 -20.76 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.025 0.441 . . . . 74.41 110.711 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.09 77.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 55.3 111.274 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 35' ' ' VAL . 5.3 p -74.59 -27.93 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.863 -0.335 . . . . 75.32 110.528 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD21 ' HA ' ' A' ' 36' ' ' ILE . 3.1 mm? -73.52 -43.91 58.94 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.506 -0.553 . . . . 64.13 109.506 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.78 -44.55 93.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.616 -0.72 . . . . 73.12 110.389 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.8 tpt -68.6 -20.71 64.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 73.21 110.731 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -93.89 2.41 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.873 0.368 . . . . 65.51 110.18 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 62.58 33.36 15.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.526 -0.761 . . . . 75.25 111.942 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 tt -113.73 131.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.958 -0.386 . . . . 64.11 109.958 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.48 130.99 38.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.356 0.598 . . . . 71.14 111.098 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 151.8 35.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 71.13 110.423 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -105.89 163.2 12.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.376 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -104.3 125.32 50.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.104 -0.498 . . . . 72.11 110.901 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.531 HG21 ' HA ' ' A' ' 20' ' ' ASP . 6.9 pt -115.13 102.69 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.221 0.534 . . . . 75.0 110.626 174.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -100.41 128.85 46.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.675 -0.693 . . . . 64.13 110.616 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 44.7 m -152.85 152.41 31.53 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.204 -0.665 . . . . 74.02 109.204 176.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.09 -46.61 94.2 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.047 -0.597 . . . . 71.1 113.345 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -78.06 -10.26 59.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 75.2 111.127 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 41.5 tp -105.62 -46.53 4.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 74.3 111.334 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.9 -128.56 8.99 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.475 -0.65 . . . . 63.22 111.475 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -106.69 119.49 39.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.911 0.386 . . . . 75.22 110.247 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 24' ' ' LEU . 53.6 m -139.96 155.89 46.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.114 -0.493 . . . . 62.14 110.915 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.97 134.73 32.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 75.41 109.885 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.4 t -130.98 161.85 31.03 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.934 -0.395 . . . . 63.12 109.934 174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -141.92 173.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.406 -0.59 . . . . 74.12 109.406 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.27 140.78 16.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.459 0.474 . . . . 63.23 110.517 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.563 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 2.6 mp0 -45.38 -52.18 23.22 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.218 0.821 . . . . 74.22 113.218 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 15.3 Cg_exo -68.96 -23.95 33.94 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.985 1.79 . . . . 75.13 112.683 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -87.56 2.49 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 74.15 111.074 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -57.57 -36.41 71.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.903 -0.59 . . . . 73.52 110.954 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -60.07 -28.91 68.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.853 -0.612 . . . . 74.52 111.483 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.56 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 73.32 110.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.68 -49.3 70.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.885 -0.598 . . . . 72.44 110.908 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.29 -40.55 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.509 . . . . 70.24 110.775 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -64.27 -47.59 78.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 74.4 111.063 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -67.42 -40.48 85.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 75.14 111.047 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.984 HG13 HD23 ' A' ' 23' ' ' LEU . 39.9 mm -71.71 -31.22 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.855 0.359 . . . . 73.13 110.97 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.03 -25.46 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.332 0.587 . . . . 75.31 110.063 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -77.34 -24.85 50.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 74.55 110.634 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -71.88 -38.93 69.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 73.43 110.893 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.715 -0.66 . . . . 72.51 110.464 -176.568 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 119.954 -0.069 . . . . 71.44 111.082 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 68.15 -51.08 0.54 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.497 1.295 . . . . 61.25 114.497 169.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -54.05 116.53 2.63 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.465 0.306 . . . . 75.44 111.13 -172.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.675 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 p-10 -75.38 125.41 28.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.618 -0.719 . . . . 72.33 110.536 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 tp -92.5 -20.03 21.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.408 -0.815 . . . . 71.52 110.166 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD13 HG11 ' A' ' 35' ' ' VAL . 29.4 mt -142.58 152.79 42.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.386 -0.824 . . . . 74.12 109.837 -173.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -131.62 116.61 17.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 72.15 110.588 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.44 19.6 54.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.836 -0.697 . . . . 73.11 113.053 174.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.584 ' HG ' ' OE1' ' A' ' 31' ' ' GLN . 8.7 mp -100.76 146.13 27.63 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.594 -0.357 . . . . 73.13 110.5 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -101.83 178.36 4.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 74.14 110.352 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -59.83 -38.61 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 70.22 110.631 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.75 -31.07 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.93 -0.577 . . . . 71.23 111.318 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.584 ' OE1' ' HG ' ' A' ' 27' ' ' LEU . 78.8 mt-30 -87.08 -41.42 13.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.171 0.51 . . . . 73.24 110.307 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.32 -19.19 65.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 74.33 111.237 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -54.74 -36.82 65.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 73.23 111.594 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.41 -37.73 36.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.307 0.575 . . . . 71.43 110.162 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.559 HG11 HD13 ' A' ' 24' ' ' LEU . 90.6 t -60.38 -52.06 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 64.45 111.472 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 tt -73.15 -19.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.82 0.343 . . . . 75.03 110.937 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.05 96.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 74.14 111.147 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 35' ' ' VAL . 7.2 p -73.9 -26.68 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.056 0.455 . . . . 72.32 110.34 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.499 HD11 HG12 ' A' ' 38' ' ' VAL . 10.8 mp -73.54 -46.44 47.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.419 176.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.6 -36.19 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 75.31 111.217 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -64.68 -35.69 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.037 0.446 . . . . 74.54 110.784 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -87.92 -6.65 57.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.342 -0.39 . . . . 72.33 111.071 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 61.06 31.71 19.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.543 0.687 . . . . 65.1 110.947 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.1 tt -82.86 145.93 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.145 -0.687 . . . . 74.21 109.145 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.81 110.34 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.025 0.44 . . . . 72.11 110.847 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.32 123.42 43.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.963 -0.562 . . . . 64.52 110.607 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.553 ' HB2' HG21 ' A' ' 59' ' ' THR . 11.0 m120 -105.88 158.15 16.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.655 -0.869 . . . . 74.44 108.655 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -114.98 137.98 51.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.742 -0.383 . . . . 73.22 111.275 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.728 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.1 pt -137.64 127.55 36.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.22 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' C ' ' HG ' ' A' ' 51' ' ' SER . 7.4 t70 -110.56 132.58 54.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.971 -0.559 . . . . 73.13 109.976 170.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 57.7 m -156.33 159.64 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.223 -0.288 . . . . 74.21 110.223 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.12 -44.55 87.06 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.884 -0.674 . . . . 65.41 112.196 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -67.43 -15.72 63.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.08 0.467 . . . . 74.01 111.527 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.675 HD12 ' HB2' ' A' ' 22' ' ' ASP . 2.6 tt -113.5 -42.66 3.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.985 -0.552 . . . . 74.24 112.363 -167.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 -115.2 4.39 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.921 -0.871 . . . . 72.12 110.921 -173.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.58 115.57 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.482 -0.933 . . . . 74.5 108.482 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.66 ' HB2' HD13 ' A' ' 54' ' ' LEU . 70.4 m -151.05 179.71 8.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.153 0.502 . . . . 72.45 111.484 -175.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.425 HG23 HD23 ' A' ' 39' ' ' LEU . 9.2 mm -109.85 149.2 12.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.364 -0.835 . . . . 62.51 110.882 -174.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.728 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.3 t -134.6 158.62 43.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.626 -1.25 . . . . 74.41 107.626 169.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' A' ' 68' ' ' ALA . 27.5 m -130.21 172.42 15.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 C-N-CA 120.747 -0.381 . . . . 63.24 110.619 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 147.64 36.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 72.22 109.829 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 42.4 mt-10 -54.64 -47.98 96.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.409 0.522 . . . . 55.31 112.409 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 23.0 Cg_endo -63.45 -32.29 71.26 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.722 1.614 . . . . 64.55 112.798 175.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.605 ' HB3' HD11 ' A' ' 44' ' ' ILE . 1.8 m-20 -85.89 1.49 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.708 0.29 . . . . 74.22 111.528 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.81 -28.78 69.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 74.1 110.95 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -58.56 -41.35 85.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.905 -0.589 . . . . 64.41 111.087 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.02 58.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 60.33 111.386 -175.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.78 -55.55 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 72.51 111.224 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.65 -29.24 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.098 0.475 . . . . 74.34 110.467 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -67.02 -44.57 79.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 74.41 110.762 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -73.06 -46.84 49.43 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.435 -0.348 . . . . 75.1 111.234 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.539 HD11 HG12 ' A' ' 35' ' ' VAL . 32.8 mm -70.97 -8.68 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.284 0.564 . . . . 73.25 111.557 -172.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 36.0 ttmt -62.3 -23.51 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.253 -0.431 . . . . 71.3 110.603 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.9 p -81.28 -15.15 56.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.043 0.449 . . . . 73.5 111.259 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -98.49 107.39 19.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 75.52 110.605 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.37 -0.824 . . . . 73.1 109.643 -178.522 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.896 0.379 . . . . 70.23 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -123.84 102.77 7.97 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.84 -0.344 . . . . 61.32 111.328 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.588 ' HE3' ' HD1' ' A' ' 65' ' ' PHE . 1.7 mptp? -134.49 126.61 29.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 73.45 110.149 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.1 106.18 9.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 61.33 110.357 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.551 HD22 HG13 ' A' ' 72' ' ' ILE . 20.9 tp -93.0 -51.09 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.596 -0.729 . . . . 74.04 111.225 -173.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 23' ' ' LEU . 5.7 mp -117.36 173.25 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.102 -0.333 . . . . 75.33 110.102 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -140.27 116.76 10.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.566 0.222 . . . . 74.3 111.083 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.11 -31.97 8.13 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.769 -0.729 . . . . 61.5 113.829 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 31' ' ' GLN . 6.4 mp -65.43 146.08 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 74.11 111.103 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -98.74 179.75 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.99 -0.55 . . . . 73.11 109.517 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -47.44 76.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.427 . . . . 75.22 110.758 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.97 -31.2 68.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 63.43 112.255 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.492 ' HB3' HD22 ' A' ' 27' ' ' LEU . 2.6 mp0 -86.8 -32.12 20.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.022 0.439 . . . . 73.32 110.645 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.85 -19.39 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 74.44 110.888 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -51.65 -46.27 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 72.24 111.296 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.58 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.315 0.578 . . . . 73.12 110.509 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 38' ' ' VAL . 45.1 t -83.96 -52.79 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.577 -0.738 . . . . 71.13 110.684 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.0 tt -60.43 -26.0 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.841 0.353 . . . . 60.15 111.184 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.14 77.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 74.24 111.267 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 35' ' ' VAL . 5.2 p -76.79 -27.44 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.353 . . . . 75.02 110.722 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.561 HD22 HD13 ' A' ' 72' ' ' ILE . 3.3 mm? -70.91 -49.0 50.57 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.643 -0.503 . . . . 74.35 109.643 175.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.82 -40.18 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 54.42 110.046 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.97 -32.91 68.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.274 -0.875 . . . . 73.32 111.552 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -92.86 1.91 57.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.494 -0.321 . . . . 74.02 111.707 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.54 20.91 11.64 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.983 0.42 . . . . 70.22 111.571 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.534 HD12 ' HB3' ' A' ' 64' ' ' ASP . 10.8 tt -87.48 150.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.96 -0.564 . . . . 74.24 109.644 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.56 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.366 0.416 . . . . 70.42 110.706 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 39' ' ' LEU . . . -110.36 113.13 25.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 75.11 109.954 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.662 ' HB3' HG22 ' A' ' 59' ' ' THR . 3.9 t-20 -118.6 140.79 49.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.987 -0.551 . . . . 71.42 109.862 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -98.29 104.92 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 74.44 110.912 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.8 pt -90.32 123.35 42.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.968 0.414 . . . . 73.52 110.761 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -109.26 135.9 49.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.692 -0.685 . . . . 70.55 110.318 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.571 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 39.3 m -154.75 169.27 24.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.929 -0.578 . . . . 63.31 109.724 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.66 -37.03 10.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 73.44 112.104 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -80.61 -30.71 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.202 0.525 . . . . 72.53 110.554 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 7.4 tt -98.62 -35.14 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.63 -0.714 . . . . 74.42 111.427 -173.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.8 -113.48 4.1 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.157 -0.777 . . . . 74.01 111.157 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -131.29 138.17 49.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.904 0.383 . . . . 75.01 110.324 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.1 m -149.02 165.69 30.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.108 -0.496 . . . . 74.43 111.039 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.484 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.5 mm -102.48 108.36 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.562 -0.745 . . . . 70.54 109.73 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 47' ' ' ASN . 12.3 t -101.12 153.3 19.7 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.808 -0.441 . . . . 64.31 109.808 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 68' ' ' ALA . 21.9 m -128.76 173.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.87 149.0 50.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.048 -0.524 . . . . 64.21 110.615 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.544 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 13.2 mp0 -51.31 -45.55 89.66 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 112.784 0.661 . . . . 74.22 112.784 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 18.1 Cg_endo -61.41 -11.78 21.15 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.264 1.976 . . . . 72.33 113.712 177.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.534 ' HB3' HD12 ' A' ' 44' ' ' ILE . 52.2 m-20 -114.54 22.64 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 75.41 110.526 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.588 ' HD1' ' HE3' ' A' ' 21' ' ' LYS . 90.3 t80 -49.81 -59.34 3.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.813 -0.631 . . . . 74.31 112.468 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -71.51 -23.35 61.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.708 0.289 . . . . 74.42 111.473 -174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.73 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.408 -0.36 . . . . 63.13 110.977 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.584 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.51 -51.42 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.022 -0.535 . . . . 74.32 111.497 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.11 -34.26 67.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 75.02 110.789 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -74.23 -29.17 61.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.55 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.402 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.2 m95 -76.59 -20.73 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 75.23 110.894 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 68' ' ' ALA . 21.5 mm -88.47 -5.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.004 0.43 . . . . 74.44 110.313 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.633 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -53.75 -27.14 26.91 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.749 0.648 . . . . 74.54 112.749 -173.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 p -70.02 -21.53 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.928 0.344 . . . . 64.14 111.928 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -113.4 -45.23 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 71.11 111.39 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.465 ' C ' ' HZ3' ' A' ' 73' ' ' LYS . 29.4 tt0 . . . . . 0 C--O 1.242 0.664 0 CA-C-O 118.609 -0.71 . . . . 74.42 110.117 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 ttmp? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.194 0.521 . . . . 74.12 109.922 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -124.64 26.33 7.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.6 -0.727 . . . . 72.34 109.919 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -86.14 128.83 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 75.12 109.699 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.01 132.02 35.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.345 0.593 . . . . 71.1 110.226 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 tp -107.89 -40.55 5.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.883 -0.598 . . . . 74.21 110.754 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.632 HD13 HG13 ' A' ' 35' ' ' VAL . 41.1 mt -114.89 167.34 10.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.87 -0.605 . . . . 73.11 110.023 -174.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -134.5 115.62 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.558 0.218 . . . . 75.14 110.565 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 52.08 9.1 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.129 -0.557 . . . . 72.02 114.179 172.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.54 HD23 HD11 ' A' ' 24' ' ' LEU . 7.5 mp -118.87 150.87 39.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.98 0.39 . . . . 74.05 110.132 172.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.68 176.69 6.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.398 . . . . 74.25 110.106 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.61 -57.97 10.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.508 0.323 . . . . 75.14 111.611 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.63 -23.9 66.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 73.33 110.993 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.35 -32.03 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.138 0.494 . . . . 70.0 110.088 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.91 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.711 -0.677 . . . . 63.33 111.209 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.473 ' HA ' HG22 ' A' ' 36' ' ' ILE . 8.8 t30 -54.99 -41.53 71.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.34 -0.391 . . . . 65.33 111.311 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.5 tp10 -60.52 -46.09 91.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.974 0.416 . . . . 75.13 110.067 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.632 HG13 HD13 ' A' ' 24' ' ' LEU . 60.7 t -68.21 -45.92 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 72.43 111.419 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.547 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 17.8 tt -64.3 -32.29 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.896 -0.322 . . . . 52.12 110.534 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.1 82.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.174 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 34' ' ' GLU . 69.8 t -56.01 -53.14 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.284 -0.416 . . . . 63.12 110.349 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 4.5 mm? -56.89 -51.08 70.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 73.01 110.976 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.18 -37.47 87.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.31 -0.405 . . . . 60.54 111.272 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -66.36 -24.14 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 72.43 111.135 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -89.12 11.94 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 72.14 110.864 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 65.4 28.03 11.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.906 -0.588 . . . . 74.23 112.504 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 tt -112.4 145.11 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.256 -0.646 . . . . 72.22 109.256 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.62 104.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.441 0.638 . . . . 70.45 111.343 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 39' ' ' LEU . . . -99.01 114.65 27.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.42 -0.809 . . . . 44.01 110.035 178.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.428 ' HB3' ' CG2' ' A' ' 59' ' ' THR . 25.1 t-20 -107.24 145.1 33.1 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.193 -0.458 . . . . 75.33 109.772 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -89.15 123.83 33.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.58 . . . . 73.44 110.981 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.53 HD12 ' HB ' ' A' ' 59' ' ' THR . 25.4 pt -122.42 118.84 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.128 0.49 . . . . 71.52 110.822 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -109.57 139.41 44.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.99 -0.55 . . . . 74.42 109.992 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -157.57 151.84 24.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.596 -0.52 . . . . 71.34 109.596 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.71 -43.6 98.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.754 -0.736 . . . . 65.34 112.836 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -73.78 -16.79 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.842 0.353 . . . . 73.12 111.81 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.1 tp -113.63 -39.42 4.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.926 0.393 . . . . 74.44 111.846 -168.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.33 -125.12 7.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.696 -0.962 . . . . 64.12 110.696 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -117.13 121.45 41.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.999 0.428 . . . . 75.53 110.106 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.8 m -140.43 170.04 16.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.964 -0.562 . . . . 70.23 110.512 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.547 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.4 mm -108.03 141.6 22.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.863 -0.608 . . . . 64.21 109.718 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.53 ' HB ' HD12 ' A' ' 49' ' ' ILE . 4.0 t -127.41 152.88 46.95 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.914 -0.402 . . . . 74.41 109.914 176.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 68' ' ' ALA . 27.7 m -134.09 175.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.859 -0.609 . . . . 71.25 109.952 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 139.5 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.699 0.624 . . . . 72.44 110.427 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' OE1' ' HB2' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -49.58 -55.88 20.05 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.818 0.673 . . . . 74.04 112.818 -173.176 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -73.58 -5.87 17.79 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.738 1.625 . . . . 73.14 112.949 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -103.24 11.43 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.44 . . . . 74.54 110.714 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.96 -36.58 77.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 72.23 110.289 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -62.13 -34.91 77.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 71.33 110.986 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.13 72.95 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.465 -0.334 . . . . 72.14 110.203 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.618 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -56.69 -49.23 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 75.53 110.527 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 -36.54 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 73.51 110.593 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -62.66 -38.49 90.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.818 -0.628 . . . . 74.42 110.711 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -71.76 -31.74 66.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 73.23 110.646 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 68' ' ' ALA . 51.9 mm -63.95 -19.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 75.11 110.918 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 17.3 mmtt -65.78 -15.67 63.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.389 0.514 . . . . 70.03 112.389 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.2 p -85.64 1.49 49.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 64.41 110.465 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -122.05 -41.79 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.656 . . . . 75.43 110.574 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.982 -0.532 . . . . 74.51 110.122 -178.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 121.627 0.727 . . . . 75.54 110.824 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -150.63 29.5 0.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.361 -0.836 . . . . 71.12 110.174 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.912 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 10.2 mmpt? -73.53 116.61 14.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.702 -0.681 . . . . 64.43 110.745 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.37 129.75 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 75.1 110.626 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD21 HD12 ' A' ' 72' ' ' ILE . 20.1 tp -111.64 -45.17 3.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.475 -0.784 . . . . 72.33 109.841 -177.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 HG11 ' A' ' 35' ' ' VAL . 62.1 mt -137.15 138.48 40.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.124 -0.943 . . . . 72.42 109.377 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.665 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 9.1 mtpm? -114.23 123.05 48.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.138 0.494 . . . . 75.41 111.951 -174.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.24 40.59 10.05 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.626 -0.716 . . . . 72.3 112.405 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 32' ' ' ALA . 20.4 tp -116.79 129.47 56.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.957 -0.386 . . . . 73.34 109.957 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.09 160.62 27.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.367 -0.379 . . . . 64.51 110.103 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -61.7 -33.65 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 74.03 109.821 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.63 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 70.12 110.613 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.84 -22.22 34.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 73.51 110.852 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -62.49 -18.5 61.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.817 -0.629 . . . . 64.31 111.136 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -46.96 -43.02 18.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.399 -0.818 . . . . 71.45 111.96 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.0 -43.9 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.157 0.504 . . . . 74.43 110.952 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG11 HD11 ' A' ' 24' ' ' LEU . 45.7 t -79.07 -42.61 23.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.774 -0.648 . . . . 73.43 111.633 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.36 -31.83 52.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.676 0.274 . . . . 73.02 110.665 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.63 92.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 65.24 110.473 177.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.97 -54.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 71.23 110.485 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 44' ' ' ILE . 3.7 mm? -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.808 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.75 -47.46 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 75.3 111.028 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mmm -66.9 -25.51 66.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.359 . . . . 75.44 111.583 -177.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -82.93 7.95 13.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.614 0.245 . . . . 74.51 111.006 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 m120 63.46 22.19 13.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.864 -0.607 . . . . 65.04 111.968 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 39' ' ' LEU . 17.8 tt -100.49 145.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.048 -0.723 . . . . 74.43 109.048 175.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 60' ' ' VAL . 41.4 tt0 -69.47 124.67 24.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.363 -0.381 . . . . 50.31 111.496 -173.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.48 114.21 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.053 -0.521 . . . . 75.44 110.846 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.524 ' HB2' HG21 ' A' ' 59' ' ' THR . 45.1 m-80 -113.98 156.82 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.426 -0.352 . . . . 71.24 110.185 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.84 142.92 27.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 65.43 111.987 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.542 HD11 ' HB ' ' A' ' 59' ' ' THR . 4.8 pt -143.29 104.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 63.2 109.498 167.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 20.7 t70 -108.13 131.21 54.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.922 0.391 . . . . 73.21 110.427 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.7 m -156.34 151.99 27.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.786 -0.643 . . . . 75.1 109.334 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.98 95.1 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.756 -0.735 . . . . 73.22 112.933 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -70.6 -17.92 62.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 72.04 111.241 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tt -113.45 -53.21 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.229 -0.441 . . . . 64.31 111.987 -166.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.567 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 95.36 -134.05 11.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.504 -1.039 . . . . 43.14 110.504 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 31.3 m-85 -111.94 119.42 38.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.04 0.448 . . . . 73.41 111.056 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.5 m -120.45 159.29 25.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.861 -0.609 . . . . 74.05 110.338 172.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.4 mm -96.24 100.41 10.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.086 -0.709 . . . . 74.54 109.086 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.542 ' HB ' HD11 ' A' ' 49' ' ' ILE . 14.5 t -92.5 133.59 35.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.78 0.8 . . . . 62.34 110.39 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 45' ' ' GLU . 34.1 m -113.97 174.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.833 -1.076 . . . . 71.41 108.58 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.06 142.06 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.067 -0.346 . . . . 74.02 110.067 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 55.2 mt-10 -54.75 -48.24 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 112.936 0.717 . . . . 75.2 112.936 -172.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 40.6 Cg_endo -68.01 -14.45 41.07 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.713 1.609 . . . . 65.32 112.771 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -97.91 -0.68 44.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 44.45 111.227 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 69' ' ' VAL . 47.6 t80 -59.05 -31.14 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 72.45 110.931 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -55.9 -43.62 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.949 -0.568 . . . . 72.25 111.466 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.53 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.772 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -57.26 -46.6 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 72.54 110.959 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 65' ' ' PHE . 68.7 t -58.62 -40.5 79.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.187 -0.461 . . . . 75.33 110.828 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.84 -38.34 83.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.019 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.411 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 3.7 m95 -67.75 -33.14 74.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.585 -0.28 . . . . 74.42 110.871 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -65.5 -22.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 73.44 111.362 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -63.15 -22.87 67.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 72.34 111.119 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.6 p -79.44 -12.88 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 73.24 111.012 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -86.64 97.06 10.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.53 -0.545 . . . . 75.05 109.53 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.517 -0.765 . . . . 74.12 109.544 -178.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.756 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 3.7 ttmp? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.28 0.086 . . . . 75.53 111.102 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' HA ' HG23 ' A' ' 59' ' ' THR . 12.7 p-10 -60.66 107.41 0.68 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.38 0.609 . . . . 73.15 111.605 -175.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 34.6 mmtm -145.79 149.76 34.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 74.23 110.602 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' HB3' HD13 ' A' ' 54' ' ' LEU . 7.4 p-10 -77.71 133.28 38.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.721 . . . . 75.2 110.976 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.518 HD23 ' HB ' ' A' ' 58' ' ' ILE . 34.2 tp -112.43 -28.72 7.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.602 -0.726 . . . . 72.4 110.08 174.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD12 HD22 ' A' ' 27' ' ' LEU . 67.0 mt -133.87 175.67 9.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 74.11 109.606 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -140.13 125.41 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.371 0.137 . . . . 74.52 111.371 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.27 94.5 Favored Glycine 0 C--N 1.333 0.372 0 O-C-N 123.596 0.56 . . . . 53.03 113.307 173.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 24' ' ' LEU . 12.8 tp -112.73 144.89 41.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.093 -0.336 . . . . 65.05 110.093 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.23 161.51 14.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.779 0.324 . . . . 73.21 110.383 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -54.95 -35.41 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.779 -0.646 . . . . 72.14 111.533 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.61 -35.58 79.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 65.32 111.081 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.491 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 47.3 mt-30 -81.13 -27.81 35.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 75.33 110.483 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.2 -22.85 67.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.739 -0.664 . . . . 75.41 111.098 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.59 -40.91 69.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.064 -0.516 . . . . 61.15 110.953 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.45 -30.73 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.63 -0.714 . . . . 64.32 110.839 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG13 HD11 ' A' ' 24' ' ' LEU . 34.1 t -89.42 -45.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 70.54 111.357 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 tt -61.72 -31.52 51.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.851 0.358 . . . . 73.42 111.238 -175.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.95 73.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.095 -0.502 . . . . 72.32 110.87 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.0 -46.26 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.607 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.534 ' HG ' HG23 ' A' ' 58' ' ' ILE . 3.9 mm? -64.89 -52.97 53.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.057 -0.519 . . . . 75.53 110.965 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.51 -28.5 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 73.33 111.214 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 ttm -70.02 -35.91 74.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.407 . . . . 71.54 110.771 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -87.94 15.98 6.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.091 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.87 26.21 11.13 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.553 0.575 . . . . 73.1 112.553 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.44 128.26 70.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.987 -0.375 . . . . 70.1 109.987 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.31 121.82 11.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.932 -0.577 . . . . 72.44 110.777 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 113.99 23.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.691 -0.686 . . . . 63.34 110.603 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -105.99 155.29 19.52 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.43 -0.582 . . . . 71.31 109.43 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -105.1 133.35 50.02 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 121.042 -0.263 . . . . 73.33 110.515 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 57' ' ' SER . 1.1 pt -93.43 103.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 55.4 110.594 174.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.02 102.0 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 74.41 109.732 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.8 m -152.57 117.11 5.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 65.34 109.431 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.96 -30.54 76.18 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 121.223 -0.513 . . . . 73.44 113.08 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.78 -36.02 50.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.156 0.503 . . . . 74.35 110.838 -178.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 22' ' ' ASP . 5.3 tt -86.53 -40.48 15.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.307 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.83 168.88 29.73 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.557 -1.017 . . . . 74.34 110.557 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -76.16 117.74 18.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 72.13 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.548 ' HB2' HD11 ' A' ' 49' ' ' ILE . 75.6 m -133.44 169.7 16.57 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.156 -0.929 . . . . 65.33 110.104 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.534 HG23 ' HG ' ' A' ' 39' ' ' LEU . 34.8 mm -100.47 120.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.91 -0.586 . . . . 74.12 110.584 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 20' ' ' ASP . 31.9 m -113.85 133.43 55.42 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.802 -0.635 . . . . 74.23 109.92 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.534 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 31.5 m -123.54 173.46 9.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.105 -0.498 . . . . 65.11 111.274 -174.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . . . -58.56 149.94 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 73.41 110.986 177.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 55.7 mp0 -49.87 -54.52 31.48 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.906 0.706 . . . . 73.44 112.906 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.565 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 18.4 Cg_exo -67.67 -14.51 42.16 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.868 1.712 . . . . 72.32 113.053 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -107.36 3.71 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.568 0.21 . . . . 74.22 111.568 -176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 61.8 t80 -59.86 -49.85 76.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 74.32 111.312 -176.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 t -62.31 -29.42 70.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 74.21 111.108 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.86 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 74.33 110.341 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.492 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.1 -39.35 81.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 71.1 111.012 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 65' ' ' PHE . 62.0 t -61.12 -35.14 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.968 -0.56 . . . . 73.2 110.718 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.29 -34.03 65.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 71.21 110.788 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -68.65 -25.92 65.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 74.11 110.84 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.2 mm -68.11 -23.77 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.035 -0.53 . . . . 74.03 110.727 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 65.7 mmtt -62.49 -33.34 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 74.23 111.627 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -76.48 -26.7 55.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 71.14 111.359 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -73.23 125.05 26.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.117 0.484 . . . . 73.41 110.55 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.484 -0.769 . . . . 73.13 109.863 -179.538 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 pttm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.391 -0.225 . . . . 74.42 110.391 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 38.85 69.2 0.29 Allowed 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.027 0.83 . . . . 65.25 113.078 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -124.31 126.08 45.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.878 -0.416 . . . . 73.3 109.878 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' HB3' ' HE3' ' A' ' 25' ' ' LYS . 4.4 m-20 -70.3 105.59 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 72.32 109.834 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 58' ' ' ILE . 18.0 tp -96.13 -61.37 1.45 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 73.22 110.134 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD12 HG23 ' A' ' 35' ' ' VAL . 67.4 mt -115.71 137.02 52.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.836 -0.62 . . . . 75.51 109.627 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 22' ' ' ASP . 11.2 mptt -113.63 115.57 28.11 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.561 -0.455 . . . . 75.22 110.39 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.96 -19.51 33.79 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.018 -0.61 . . . . 74.35 113.288 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD21 HD22 ' A' ' 24' ' ' LEU . 7.9 mp -67.88 138.98 56.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.884 0.373 . . . . 75.1 111.002 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -85.19 166.6 16.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.847 -0.615 . . . . 74.12 109.619 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 32' ' ' ALA . 10.5 pt20 -70.72 -17.13 62.82 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.001 -0.279 . . . . 64.54 111.231 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -57.85 -41.44 82.37 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.356 0.598 . . . . 75.23 109.604 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.01 -36.96 24.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.382 -0.826 . . . . 72.41 110.004 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 29' ' ' GLN . . . -64.43 -19.99 65.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.714 -0.676 . . . . 74.32 111.376 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.51 -43.7 79.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 63.43 110.283 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.78 -32.33 70.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.421 0.629 . . . . 72.22 110.188 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG23 HD12 ' A' ' 24' ' ' LEU . 80.9 t -71.12 -51.32 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.204 -0.907 . . . . 74.53 111.377 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 tt -70.96 -23.93 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.828 0.347 . . . . 75.12 110.684 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.33 96.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.206 -0.452 . . . . 72.22 111.171 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 35' ' ' VAL . 9.6 p -68.08 -31.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.414 . . . . 64.43 110.177 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' O ' HG21 ' A' ' 44' ' ' ILE . 9.2 mp -64.58 -49.23 71.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.406 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -59.32 -40.12 85.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 74.11 110.809 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.1 mtt -75.76 -4.28 39.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 74.22 111.815 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -113.08 9.83 18.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 74.12 110.869 175.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 t30 63.34 25.46 14.66 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.474 -0.785 . . . . 62.22 111.807 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG21 ' O ' ' A' ' 39' ' ' LEU . 11.6 tt -96.16 150.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.047 -0.408 . . . . 71.5 110.055 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.34 137.12 56.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.417 -0.356 . . . . 74.33 110.455 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.93 121.19 20.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.828 0.347 . . . . 64.21 110.654 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.482 ' HB2' HG21 ' A' ' 59' ' ' THR . 12.7 m120 -109.84 151.61 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.372 -0.377 . . . . 72.15 110.32 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -103.84 119.2 38.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.419 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.486 HD12 ' HB ' ' A' ' 59' ' ' THR . 28.4 pt -125.63 118.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 72.3 111.267 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.16 139.64 43.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.695 -0.684 . . . . 75.35 109.328 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.1 m -153.75 142.03 20.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.907 -0.405 . . . . 64.32 109.907 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.61 92.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.275 -0.488 . . . . 74.1 113.433 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -12.7 54.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.957 0.378 . . . . 73.45 111.915 -176.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 65.3 tp -110.88 -38.8 5.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 74.11 111.643 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.36 -126.52 8.95 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.75 -0.94 . . . . 74.33 110.75 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -123.84 119.09 28.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.844 0.354 . . . . 72.41 110.436 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -124.17 158.5 32.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.186 0.517 . . . . 70.42 111.008 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.47 ' O ' HD22 ' A' ' 23' ' ' LEU . 13.8 mm -111.44 100.95 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.603 -0.888 . . . . 63.13 108.603 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 49' ' ' ILE . 10.6 t -90.46 151.91 21.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.187 0.518 . . . . 73.44 110.863 -174.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.47 174.32 11.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.51 -0.768 . . . . 74.33 109.453 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.71 154.6 40.24 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.666 -0.494 . . . . 74.11 109.666 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 4.9 mp0 -53.24 -47.66 95.16 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.755 0.65 . . . . 73.22 112.755 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 31.2 Cg_exo -62.14 -20.68 70.69 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.066 1.844 . . . . 74.44 113.072 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -98.87 1.27 45.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.511 -0.313 . . . . 74.21 111.07 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.39 -44.52 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 75.32 111.331 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -66.86 -24.67 66.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 74.03 111.184 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.89 -42.86 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 75.21 110.653 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.618 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.88 -52.3 60.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.734 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.61 -37.71 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 75.45 110.832 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.7 -40.14 93.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 74.2 110.909 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.32 -38.75 81.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.006 0.432 . . . . 72.14 110.577 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 68' ' ' ALA . 29.1 mm -66.64 -29.64 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.55 . . . . 73.32 110.695 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -62.38 -36.86 83.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 74.14 110.76 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.59 44.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.012 0.375 . . . . 74.25 112.012 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -84.26 -28.52 27.13 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.077 0.465 . . . . 74.54 109.913 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.42 -0.8 . . . . 64.4 110.468 -175.791 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 59.2 mttp . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.756 0.312 . . . . 74.24 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.47 98.5 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.773 0.797 . . . . 73.34 112.221 -171.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 9.9 mmpt? -113.52 142.81 45.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.831 -1.077 . . . . 74.12 108.344 170.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -79.3 105.81 10.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.641 0.734 . . . . 74.51 111.398 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.2 tp -76.18 -41.06 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.137 -0.938 . . . . 75.01 110.463 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 HG12 ' A' ' 35' ' ' VAL . 35.6 mt -126.72 155.14 43.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.163 -0.926 . . . . 73.54 108.893 -177.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.26 116.74 14.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.785 -0.366 . . . . 75.44 110.8 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.34 39.57 5.97 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.772 -0.728 . . . . 74.34 113.3 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 24' ' ' LEU . 8.6 mp -115.47 157.26 24.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 73.53 111.046 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.75 -178.99 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.54 -0.754 . . . . 64.41 109.744 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.67 -32.66 72.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 65.52 110.59 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.92 -57.37 12.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 73.34 111.43 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -66.93 -22.84 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.404 . . . . 55.11 110.895 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.1 65.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 71.21 111.391 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.32 -44.43 87.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.92 0.39 . . . . 52.23 110.234 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.322 0.582 . . . . 75.12 110.56 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 38' ' ' VAL . 87.5 t -69.02 -53.71 24.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.297 -0.865 . . . . 73.31 111.685 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 tt -59.94 -23.82 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.771 0.319 . . . . 74.53 111.205 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.22 97.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.264 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 35' ' ' VAL . 8.2 p -72.57 -29.86 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.687 -0.405 . . . . 72.13 110.508 -177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.36 -46.2 61.03 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.733 -0.469 . . . . 73.35 109.733 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.18 -45.4 91.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 71.14 111.211 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -59.14 -37.08 76.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 63.13 111.969 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.23 3.68 54.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.571 -0.452 . . . . 62.02 111.206 -177.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.6 m120 64.02 24.2 13.49 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.749 -0.659 . . . . 71.45 112.315 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.0 tt -86.74 147.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.775 -0.454 . . . . 71.41 109.775 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.1 124.19 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.584 -0.28 . . . . 64.44 110.631 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.07 126.06 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 73.4 110.916 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -117.67 165.64 13.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.929 -0.578 . . . . 75.53 109.984 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -99.08 139.52 34.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.201 -0.454 . . . . 71.03 111.1 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.554 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.9 pt -128.8 102.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.282 0.563 . . . . 75.14 110.73 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -101.83 124.81 48.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.356 -0.838 . . . . 71.15 109.884 175.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -151.65 163.86 38.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.174 -0.466 . . . . 74.42 109.926 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.72 85.65 Favored Glycine 0 N--CA 1.454 -0.118 0 C-N-CA 120.799 -0.715 . . . . 72.32 112.476 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.591 ' HE2' HD12 ' A' ' 54' ' ' LEU . 15.7 ptmt -67.94 -22.26 65.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.818 0.342 . . . . 74.42 111.774 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.591 HD12 ' HE2' ' A' ' 53' ' ' LYS . 7.4 tp -113.91 -44.16 3.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.813 0.671 . . . . 74.12 112.813 -164.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 92.72 -127.25 8.9 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.412 -1.075 . . . . 63.44 110.412 -170.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.43 118.96 35.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.878 0.371 . . . . 75.14 110.063 174.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -141.7 178.16 7.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.393 -0.367 . . . . 75.24 111.15 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 mm -108.04 144.95 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.073 -0.512 . . . . 64.42 110.331 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.554 ' HB ' HD13 ' A' ' 49' ' ' ILE . 1.9 t -135.49 158.03 45.41 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.989 -1.115 . . . . 73.3 107.989 170.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.583 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 35.9 m -134.64 174.2 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 121.122 -0.231 . . . . 72.22 110.87 -172.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.49 142.08 14.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 72.24 110.746 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 38.2 mt-10 -53.04 -50.67 80.76 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.634 0.605 . . . . 73.42 112.634 -174.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 20.1 Cg_exo -66.96 -24.25 45.97 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.746 1.63 . . . . 74.21 112.412 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.545 ' HB3' HD11 ' A' ' 44' ' ' ILE . 42.9 m-20 -96.56 3.82 52.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.092 -0.504 . . . . 74.21 111.771 -175.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 63.6 t80 -63.86 -34.73 78.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 62.12 111.054 -176.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -62.68 -26.9 68.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.913 0.387 . . . . 54.15 110.766 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.91 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.392 -0.367 . . . . 61.14 110.614 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.63 -46.59 73.94 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.026 0.441 . . . . 75.02 110.631 176.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.38 -38.2 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.78 -0.646 . . . . 70.41 110.65 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.35 -47.42 85.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 73.22 110.13 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -67.3 -38.33 84.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 72.23 110.86 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 68' ' ' ALA . 48.2 mm -72.27 -29.76 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.873 0.368 . . . . 75.24 110.642 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -66.66 -24.43 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.131 0.491 . . . . 73.33 110.099 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.6 m -78.33 -22.9 47.39 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.573 -0.74 . . . . 63.42 110.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -75.08 122.05 22.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 73.21 109.804 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.399 -0.81 . . . . 74.42 110.558 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.748 ' HG2' ' H ' ' A' ' 20' ' ' ASP . 33.0 ttmt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.527 -0.546 . . . . 74.23 109.527 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.748 ' H ' ' HG2' ' A' ' 19' ' ' LYS . 26.2 t70 64.37 83.37 0.17 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.406 0.622 . . . . 73.45 111.388 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -125.65 116.36 21.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.782 -0.645 . . . . 72.45 109.587 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.87 105.61 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 75.12 110.252 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 tp -102.64 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.228 0.537 . . . . 75.41 110.565 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.793 HD11 HG13 ' A' ' 35' ' ' VAL . 32.5 mt -112.54 163.6 14.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.828 -0.624 . . . . 73.44 109.962 -174.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -133.39 124.62 27.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.536 0.208 . . . . 74.05 110.612 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.69 60.0 9.52 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 116.037 -0.529 . . . . 64.12 113.393 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 HD21 HD12 ' A' ' 24' ' ' LEU . 16.8 tp -124.0 149.63 45.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.883 0.341 . . . . 73.21 110.621 -178.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.89 174.09 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 72.22 110.732 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -74.72 -41.84 59.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.37 -0.377 . . . . 75.12 110.935 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.83 -29.31 70.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.82 0.343 . . . . 65.11 110.854 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.05 -36.53 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 70.33 110.334 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.7 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.482 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 36' ' ' ILE . 7.8 t30 -58.43 -41.77 85.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.78 -0.645 . . . . 71.51 110.719 176.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.1 -33.92 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.257 0.551 . . . . 74.01 110.399 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.793 HG13 HD11 ' A' ' 24' ' ' LEU . 73.1 t -76.22 -50.11 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 71.22 111.023 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.54 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.2 tt -62.46 -23.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.799 0.333 . . . . 71.24 110.356 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.89 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 74.32 111.357 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 35' ' ' VAL . 10.0 p -72.27 -31.82 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.846 -0.341 . . . . 73.3 110.429 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 44' ' ' ILE . 3.4 mm? -71.43 -53.84 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 71.12 110.366 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -63.32 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.727 -0.67 . . . . 74.21 110.667 -176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 tpp -59.3 -39.3 82.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 54.1 110.956 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -91.9 8.75 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.943 0.401 . . . . 71.1 110.795 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.31 32.49 21.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.359 -0.837 . . . . 74.54 111.675 174.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.514 HG22 HD13 ' A' ' 39' ' ' LEU . 11.8 tt -84.79 149.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.024 -0.732 . . . . 62.33 109.024 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -67.24 97.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.148 0.499 . . . . 74.44 111.022 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' HD21 ' A' ' 47' ' ' ASN . . . -100.03 124.53 45.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.354 -0.839 . . . . 74.41 110.502 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.518 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.9 OUTLIER -114.26 154.39 28.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.239 -0.652 . . . . 72.44 109.239 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -97.79 136.39 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.701 -0.227 . . . . 74.52 110.68 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.507 HD11 ' HB ' ' A' ' 59' ' ' THR . 9.6 pt -129.35 130.33 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 63.33 111.257 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -109.66 128.42 55.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 73.45 109.907 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.626 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 29.1 m -153.1 165.84 34.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.908 -0.404 . . . . 75.51 109.908 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.36 -49.13 12.51 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.768 -0.729 . . . . 74.33 113.387 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -76.94 -16.68 59.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.442 0.639 . . . . 74.32 110.441 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 4.2 tt -103.46 -32.67 9.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.25 -0.886 . . . . 75.21 111.17 -173.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.38 -117.57 5.58 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.157 -0.777 . . . . 72.13 111.157 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -115.71 118.94 34.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.399 -0.593 . . . . 74.14 109.399 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB2' HD22 ' A' ' 54' ' ' LEU . 54.4 m -146.4 178.42 8.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.014 0.435 . . . . 75.42 110.841 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.54 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 10.4 mm -110.91 138.37 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.726 -0.67 . . . . 64.35 110.852 -173.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 47' ' ' ASN . 11.4 t -121.67 143.29 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.368 -0.975 . . . . 72.43 108.368 169.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.75 174.77 2.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 120.946 -0.301 . . . . 63.14 110.55 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.58 146.33 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 124.024 0.827 . . . . 70.02 111.43 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.595 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.6 tp10 -48.75 -54.77 24.24 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.577 -0.738 . . . . 74.13 112.884 -171.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 19.3 Cg_endo -91.37 0.6 4.66 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.178 1.919 . . . . 74.55 112.882 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.46 14.46 31.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.025 0.44 . . . . 74.23 111.18 -173.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.67 -27.37 67.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 73.3 110.579 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.6 t -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.625 -0.716 . . . . 62.24 111.346 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.3 51.57 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.276 -0.268 . . . . 73.05 110.276 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.595 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.17 -52.17 59.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.565 . . . . 52.12 110.672 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.03 -38.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 73.23 110.77 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -68.06 -40.18 82.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 74.11 110.768 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.41 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.5 m95 -72.06 -36.33 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.334 . . . . 72.43 110.631 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.9 mm -66.97 -35.39 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 65.44 110.167 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.26 -23.05 67.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.236 0.541 . . . . 63.44 110.149 175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.0 m -90.22 -18.71 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.861 -0.609 . . . . 70.41 110.461 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -78.27 -38.15 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 71.05 110.535 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 72' ' ' ILE . 9.4 pt20 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.129 -0.939 . . . . 64.34 111.168 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 112.191 0.441 . . . . 74.23 112.191 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' HA ' ' OG1' ' A' ' 59' ' ' THR . 7.9 m-20 -119.18 97.31 5.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.296 0.569 . . . . 74.43 111.328 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.711 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 26.4 mmmt -130.14 143.95 51.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.388 -0.824 . . . . 75.45 110.014 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -81.57 105.5 12.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.485 0.659 . . . . 74.4 110.374 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 tp -89.37 -29.62 18.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.499 -0.773 . . . . 73.43 110.138 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.737 HD13 HG13 ' A' ' 35' ' ' VAL . 54.5 mt -126.1 148.84 49.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.543 -0.753 . . . . 73.33 109.744 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 7.7 mmpt? -113.76 116.77 29.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.553 -0.294 . . . . 74.42 110.537 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.31 62.56 6.16 Favored Glycine 0 N--CA 1.451 -0.347 0 O-C-N 123.707 0.629 . . . . 73.13 113.4 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' CD2' HD11 ' A' ' 24' ' ' LEU . 16.8 tp -121.56 153.73 37.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.887 -0.412 . . . . 64.02 109.887 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.473 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 14.0 t70 -101.33 160.45 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 62.53 109.745 177.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.37 -28.86 69.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.593 -0.276 . . . . 74.52 110.988 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.789 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 8.2 pt-20 -57.92 -42.62 85.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.26 0.552 . . . . 72.33 111.046 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.789 ' HG3' ' HG3' ' A' ' 30' ' ' GLU . 68.2 mt-30 -87.17 -20.97 26.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.696 -0.683 . . . . 74.23 110.922 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.33 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 74.43 111.286 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -53.59 -38.87 64.37 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.904 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -74.6 -33.59 62.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 72.01 110.659 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.737 HG13 HD13 ' A' ' 24' ' ' LEU . 94.8 t -75.81 -50.4 23.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 54.32 111.023 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' HB ' HD12 ' A' ' 58' ' ' ILE . 15.2 tt -59.8 -25.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.827 0.346 . . . . 64.42 111.27 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.37 86.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.023 -0.535 . . . . 73.42 111.461 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG11 ' O ' ' A' ' 35' ' ' VAL . 6.2 p -74.17 -28.31 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.8 0.333 . . . . 53.01 110.628 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HG ' HG22 ' A' ' 58' ' ' ILE . 3.1 mm? -75.78 -55.03 6.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.715 0.293 . . . . 73.13 110.354 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.77 -39.04 87.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.173 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.06 -41.1 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.969 0.414 . . . . 72.2 110.522 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -82.2 0.79 39.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 74.15 111.74 -176.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 66.1 24.52 10.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 65.0 112.088 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 tt -91.01 133.12 33.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.942 -0.762 . . . . 72.34 108.942 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.92 112.03 2.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 61.41 111.158 -175.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.34 132.54 54.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.987 -0.551 . . . . 70.45 110.621 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -127.38 174.35 9.06 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.348 -0.612 . . . . 74.43 109.348 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 130.9 52.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.483 0.183 . . . . 74.42 110.549 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.09 89.81 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.43 -0.582 . . . . 73.53 109.43 168.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -78.16 108.92 11.82 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.654 -0.703 . . . . 74.14 110.553 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -154.88 128.88 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.687 -0.688 . . . . 54.12 109.469 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.1 83.76 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.572 -0.823 . . . . 64.11 112.771 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.935 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -79.26 -9.76 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 75.11 110.797 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -109.24 -44.01 4.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.297 0.57 . . . . 71.1 110.087 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.09 -128.84 9.59 Favored Glycine 0 N--CA 1.443 -0.888 0 N-CA-C 110.395 -1.082 . . . . 73.03 110.395 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -134.76 118.86 17.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.215 0.531 . . . . 73.35 110.013 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 50.3 m -142.52 171.78 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.628 -0.715 . . . . 65.34 110.316 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.508 HG22 ' HG ' ' A' ' 39' ' ' LEU . 35.7 mm -91.02 129.36 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.026 -0.534 . . . . 65.21 110.885 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 20' ' ' ASP . 10.4 t -126.46 131.33 51.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.462 -0.57 . . . . 63.35 109.462 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.6 173.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.053 -0.521 . . . . 70.2 109.831 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.75 130.71 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.304 -0.628 . . . . 64.21 109.304 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.711 ' HG2' ' HG2' ' A' ' 21' ' ' LYS . 40.1 mt-10 -58.97 -39.19 72.27 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.343 0.868 . . . . 71.21 113.343 -171.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 11.2 Cg_endo -57.51 -35.85 98.78 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.588 1.525 . . . . 72.11 112.304 171.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.86 0.81 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.32 111.536 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.94 -29.91 70.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.82 0.343 . . . . 75.23 110.817 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 t -63.54 -27.55 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 73.21 110.878 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.17 -43.24 29.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.8 -0.444 . . . . 73.55 109.8 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.23 -47.96 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.841 -0.618 . . . . 75.44 110.814 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.98 -40.28 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 74.34 111.074 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -68.77 -37.86 79.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 73.42 111.076 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -67.28 -44.31 79.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 74.14 110.452 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' ALA . 39.5 mm -70.89 -23.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 64.44 110.548 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -66.95 -18.59 65.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.245 0.545 . . . . 70.42 110.317 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -93.04 -8.29 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.43 0.633 . . . . 74.51 110.202 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -93.86 105.13 17.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 73.23 110.274 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.821 -0.609 . . . . 71.43 110.493 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 34.2 mtmm . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.695 -0.483 . . . . 73.21 109.695 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 p30 46.01 45.02 12.04 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.108 0.963 . . . . 64.33 113.099 175.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 44.6 mmtm -121.26 135.42 55.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.143 -0.348 . . . . 73.33 111.04 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.11 105.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.49 -0.777 . . . . 71.0 111.093 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 tp -83.52 -40.18 19.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.25 0.548 . . . . 61.23 110.227 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.658 HD11 HG13 ' A' ' 35' ' ' VAL . 66.9 mt -124.75 145.71 49.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.68 . . . . 74.21 110.201 -176.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -118.85 116.2 26.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.714 0.292 . . . . 73.05 110.788 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.72 46.12 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.722 -0.751 . . . . 71.21 113.325 174.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 24' ' ' LEU . 7.4 mp -68.0 141.92 56.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.044 0.422 . . . . 75.41 110.651 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.68 178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.986 -0.552 . . . . 70.42 110.116 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.3 -44.3 95.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 74.2 110.474 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.44 -29.16 70.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.326 -0.852 . . . . 64.43 111.675 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -86.7 -27.95 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.14 0.495 . . . . 74.14 110.663 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.42 65.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 74.31 111.607 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -51.59 -43.49 62.49 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.084 -0.507 . . . . 73.54 111.527 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.69 -35.7 72.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.226 0.536 . . . . 72.23 110.52 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.658 HG13 HD11 ' A' ' 24' ' ' LEU . 91.6 t -70.53 -45.95 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.586 -0.734 . . . . 73.23 111.209 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 tt -70.57 -26.12 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.73 -0.388 . . . . 75.21 110.594 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.527 ' O ' ' HG3' ' A' ' 41' ' ' MET . . . -66.82 -53.13 35.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.475 -0.33 . . . . 73.31 110.972 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.09 -28.7 45.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.094 0.473 . . . . 73.15 110.294 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.588 ' HG ' ' CG2' ' A' ' 44' ' ' ILE . 9.2 tp -69.47 -49.22 56.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 74.4 109.914 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -60.55 -29.13 68.96 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.857 -0.61 . . . . 75.22 110.977 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 37' ' ' ALA . 91.2 mtp -62.18 -18.51 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 72.53 111.368 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -104.51 5.9 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.625 -0.261 . . . . 72.04 110.913 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.74 24.71 13.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.103 0.561 . . . . 62.13 111.731 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.682 HD13 ' HB3' ' A' ' 64' ' ' ASP . 11.1 tt -88.3 150.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.63 -0.507 . . . . 73.54 109.63 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' HG11 ' A' ' 60' ' ' VAL . 9.5 tp10 -55.5 143.88 27.88 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 73.31 110.99 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.01 121.65 18.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.261 -0.427 . . . . 74.4 110.914 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' HG21 ' A' ' 59' ' ' THR . 17.9 t-20 -132.33 134.66 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 74.14 109.909 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 1.8 mppt? -92.02 122.76 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.761 -0.375 . . . . 75.11 110.695 -177.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.477 HG13 ' HB2' ' A' ' 57' ' ' SER . 8.3 pt -112.56 111.53 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.924 0.392 . . . . 61.41 110.165 173.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -107.78 140.53 40.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.086 -0.507 . . . . 75.31 109.96 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.432 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 75.6 m -160.53 146.58 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.839 -0.619 . . . . 74.02 109.879 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.11 -24.89 65.65 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 121.09 -0.576 . . . . 53.32 112.556 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -10.44 40.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 74.4 111.16 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.642 HD22 ' HG ' ' A' ' 57' ' ' SER . 7.6 tt -114.88 -49.91 2.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.84 -0.618 . . . . 71.34 111.336 -170.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.44 -125.04 8.38 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.901 -1.28 . . . . 71.33 109.901 -167.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -130.39 119.17 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.026 0.441 . . . . 72.12 110.603 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.642 ' HG ' HD22 ' A' ' 54' ' ' LEU . 35.5 m -123.31 163.49 20.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.099 0.476 . . . . 65.52 110.913 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.2 mm -109.07 100.86 11.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.458 -0.792 . . . . 73.25 109.061 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 HG21 ' HB3' ' A' ' 47' ' ' ASN . 10.2 t -87.65 143.0 27.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 53.35 109.8 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.414 HG11 ' O ' ' A' ' 45' ' ' GLU . 35.9 m -121.51 174.09 6.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 115.822 -0.626 . . . . 73.43 109.98 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.3 170.31 8.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 61.35 110.962 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 18.9 mp0 -54.92 -55.63 36.64 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.027 -0.533 . . . . 73.32 112.261 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 53.7 Cg_endo -70.69 -17.2 33.53 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.815 1.677 . . . . 75.32 112.733 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.682 ' HB3' HD13 ' A' ' 44' ' ' ILE . 9.1 m-20 -90.01 -11.33 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.488 -0.324 . . . . 75.21 111.23 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -57.94 -46.16 85.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.426 -0.352 . . . . 73.11 111.473 -174.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -66.19 -29.39 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.878 0.371 . . . . 74.23 111.236 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.76 57.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 71.12 110.444 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.531 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.38 -46.9 66.42 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.096 -0.502 . . . . 74.12 111.157 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.61 -39.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 73.51 111.154 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.65 -42.69 91.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.476 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.93 -47.12 78.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 64.25 110.527 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.644 HD12 HG11 ' A' ' 35' ' ' VAL . 30.1 mm -69.5 -28.68 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.05 110.936 -176.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.89 -28.41 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.612 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.4 m -71.61 -22.97 61.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.881 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -85.19 -41.68 15.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 72.22 110.993 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.426 -0.797 . . . . 73.24 110.635 -174.634 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.18 -0.304 . . . . 74.5 110.18 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -82.46 125.04 30.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.274 0.559 . . . . 75.45 110.754 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -152.75 114.76 4.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.819 -1.178 . . . . 73.13 107.819 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.18 104.34 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.965 0.888 . . . . 61.13 110.955 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.43 -53.68 7.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.427 -1.261 . . . . 71.21 110.754 -177.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD12 HG23 ' A' ' 35' ' ' VAL . 78.1 mt -93.18 -177.59 4.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.635 -0.711 . . . . 73.45 109.765 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -168.54 117.12 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.431 0.457 . . . . 64.41 110.324 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.06 9.6 56.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.573 -0.823 . . . . 74.41 113.31 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 HD13 ' A' ' 24' ' ' LEU . 6.9 mp -106.28 148.83 27.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.692 0.246 . . . . 74.12 110.46 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.81 176.5 5.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.329 -0.619 . . . . 75.3 109.329 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -65.65 -35.12 79.88 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 122.46 0.304 . . . . 71.45 111.549 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -57.04 -43.23 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.53 111.667 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -86.58 -25.12 25.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.963 0.411 . . . . 74.43 110.588 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -20.08 65.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.601 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.97 -41.35 87.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 73.45 110.334 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.54 -38.8 85.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.262 0.553 . . . . 74.34 110.701 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG23 HD12 ' A' ' 24' ' ' LEU . 80.8 t -72.37 -51.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.064 -0.971 . . . . 72.04 111.336 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 tt -70.62 -20.75 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.674 -0.41 . . . . 75.14 111.095 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.26 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.44 -0.346 . . . . 74.54 110.845 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' ' 35' ' ' VAL . 8.7 p -70.4 -30.23 42.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 65.44 110.476 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD22 HG22 ' A' ' 58' ' ' ILE . 10.3 mp -70.23 -50.47 39.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 74.13 110.781 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.43 -36.1 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.054 -0.521 . . . . 75.25 110.807 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.88 -40.02 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 64.41 111.157 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -84.63 -2.22 57.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 74.43 111.12 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.6 t30 61.76 55.09 2.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.424 0.631 . . . . 72.01 110.997 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.404 HG21 ' O ' ' A' ' 39' ' ' LEU . 15.8 tt -103.73 149.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.917 -0.583 . . . . 72.22 109.608 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.04 101.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.77 141.91 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.815 -0.629 . . . . 70.33 110.8 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.539 ' HB3' HG21 ' A' ' 59' ' ' THR . 13.0 t-20 -126.56 154.91 43.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.613 . . . . 64.05 109.583 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -97.47 123.08 41.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.691 0.281 . . . . 74.43 111.205 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.623 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.0 pt -116.46 114.06 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 72.03 111.479 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -109.8 133.47 53.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 73.22 109.83 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -158.15 153.46 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.323 -0.251 . . . . 71.42 110.323 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.94 98.64 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.129 -0.558 . . . . 63.4 112.9 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -65.47 -25.1 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 73.24 110.716 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 57' ' ' SER . 34.4 tp -102.15 -49.14 4.0 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.727 0.639 . . . . 71.35 112.727 -165.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.68 -108.9 3.61 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.201 -1.159 . . . . 74.14 110.201 -170.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -128.54 126.45 40.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.83 0.347 . . . . 73.32 110.604 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.677 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.9 m -149.81 170.33 19.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.629 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.568 HG22 HD22 ' A' ' 39' ' ' LEU . 5.8 mm -112.21 141.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.441 -0.577 . . . . 75.52 109.441 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.623 ' HB ' HD13 ' A' ' 49' ' ' ILE . 14.8 t -126.74 156.99 40.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.098 -0.334 . . . . 74.31 110.098 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.2 m -141.61 173.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.401 -0.592 . . . . 65.41 109.401 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.33 138.31 32.98 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.669 -0.493 . . . . 75.24 109.669 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.512 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.5 tt0 -58.14 -47.21 99.25 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.502 0.556 . . . . 75.33 112.502 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 31.9 Cg_exo -61.88 -14.04 34.43 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.1 1.867 . . . . 73.21 112.841 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.21 3.5 25.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.813 0.34 . . . . 73.35 110.795 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.5 -30.71 71.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.235 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -62.6 -28.66 70.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 73.34 110.977 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.98 62.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.489 -0.323 . . . . 74.41 110.264 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.565 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.58 -41.81 70.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.925 -0.579 . . . . 73.01 110.61 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.75 -42.72 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.66 . . . . 73.53 110.944 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -61.27 -42.03 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 62.12 111.034 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -64.21 -48.34 76.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.62 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 68' ' ' ALA . 25.6 mm -71.35 -23.98 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.402 -174.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -61.41 -20.68 63.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.063 0.458 . . . . 74.12 110.615 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -72.47 -19.69 61.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 73.21 110.85 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -83.25 113.1 20.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.461 . . . . 64.44 110.603 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.414 -0.803 . . . . 75.14 110.485 -178.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.297 0.57 . . . . 72.329999999999998 110.643 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 4.9 mmmp? -136.4 146.78 46.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.346 0.593 . . . . 63.32 111.039 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.63 109.1 4.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 73.310000000000002 110.54 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -93.77 -27.61 16.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 72.310000000000002 109.512 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD11 HG21 ' A' ' 35' ' ' VAL . 57.0 mt -138.12 172.14 13.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.413 -0.812 . . . . 72.140000000000001 109.52 -176.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -137.73 114.61 10.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.735 0.302 . . . . 74.430000000000007 110.518 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.29 28.53 73.67 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 116.051 -0.522 . . . . 50.43 113.836 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 24' ' ' LEU . 8.9 mp -92.8 111.78 23.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.587 0.693 . . . . 75.120000000000005 109.479 173.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.33 178.0 4.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.473 -0.33 . . . . 74.340000000000003 110.424 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.77 -36.21 74.02 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.103 0.408 . . . . 75.040000000000006 112.103 -170.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -65.36 -37.4 86.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 74.129999999999995 110.856 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -83.97 -34.75 24.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 72.420000000000002 110.568 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -20.13 65.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.867 -0.606 . . . . 63.43 110.964 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' HG22 ' A' ' 36' ' ' ILE . 61.9 t30 -60.52 -31.64 70.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.138 -0.483 . . . . 71.349999999999994 110.351 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -62.69 -47.91 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.367 0.603 . . . . 71.540000000000006 110.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 24' ' ' LEU . 84.5 t -73.44 -45.05 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 54.219999999999999 111.492 -174.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 33' ' ' ASN . 9.9 tp -62.78 -30.68 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 75.349999999999994 110.262 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.88 -51.22 58.02 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.282 -0.417 . . . . 53.350000000000001 111.497 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG13 HD22 ' A' ' 39' ' ' LEU . 14.9 p -63.46 -33.08 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.682 0.277 . . . . 74.439999999999998 110.892 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.532 HD22 HG13 ' A' ' 38' ' ' VAL . 4.3 mm? -70.83 -52.5 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 54.530000000000001 110.556 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.28 -34.08 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 72.329999999999998 111.131 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 tpt -56.88 -33.98 67.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.140000000000001 111.53 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -94.44 7.62 44.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.706 -0.225 . . . . 73.209999999999994 111.08 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 58.47 55.7 4.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.401 0.619 . . . . 65.209999999999994 111.07 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 64' ' ' ASP . 12.9 tt -120.61 151.33 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.469 -0.567 . . . . 71.150000000000006 109.469 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.57 98.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.388 0.43 . . . . 70.25 110.507 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.35 115.98 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.085 -0.507 . . . . 74.120000000000005 110.229 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -117.03 132.96 56.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.224 -0.444 . . . . 74.230000000000004 110.789 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -89.77 118.8 29.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 63.329999999999998 110.186 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.518 HD13 ' HB ' ' A' ' 59' ' ' THR . 26.2 pt -113.89 135.27 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 71.430000000000007 111.896 -175.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 5.3 p-10 -109.95 139.96 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 73.209999999999994 110.076 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 66.8 m -158.41 169.8 23.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.994 -0.373 . . . . 54.039999999999999 109.994 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.67 -49.58 23.47 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.045 -0.598 . . . . 72.530000000000001 113.697 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.247 0.546 . . . . 61.409999999999997 110.707 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 6.1 tt -105.95 -40.48 5.68 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.507 -0.77 . . . . 65.430000000000007 111.61 -170.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 81.26 -111.23 3.27 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.85 -0.9 . . . . 72.299999999999997 110.85 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 20.6 m-85 -119.68 131.53 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.926 0.393 . . . . 73.310000000000002 110.115 172.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.448 ' HB2' HD21 ' A' ' 54' ' ' LEU . 66.5 m -150.0 174.24 12.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.27 -0.423 . . . . 73.140000000000001 110.792 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.522 HD12 HD13 ' A' ' 36' ' ' ILE . 25.4 mm -116.94 124.72 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.768 -0.651 . . . . 70.030000000000001 109.903 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.518 ' HB ' HD13 ' A' ' 49' ' ' ILE . 5.5 t -114.86 162.19 17.23 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.957 -0.757 . . . . 63.149999999999999 108.957 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.43 174.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.626 -0.261 . . . . 72.230000000000004 110.552 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.82 137.44 12.51 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.581 0.551 . . . . 75.030000000000001 110.012 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.533 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 22.1 tt0 -55.0 -48.21 96.57 Favored Pre-proline 0 CA--C 1.545 0.759 0 N-CA-C 112.862 0.69 . . . . 74.409999999999997 112.862 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.0 Cg_exo -67.95 -22.08 42.61 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.957 1.772 . . . . 73.5 112.199 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 44' ' ' ILE . 13.2 m-20 -89.77 11.79 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 75.230000000000004 111.316 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -50.67 -41.73 55.89 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.959 -0.564 . . . . 63.43 111.592 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 2.4 t -61.1 -36.21 79.07 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 63.140000000000001 111.708 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.37 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.592 0.234 . . . . 60.149999999999999 111.026 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.31 -56.24 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 75.219999999999999 110.738 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG12 ' HE2' ' A' ' 73' ' ' LYS . 28.5 t -63.27 -32.33 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.622 -0.717 . . . . 74.519999999999996 110.662 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' THR . 7.1 t80 -65.7 -41.48 92.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 62.450000000000003 110.91 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 74' ' ' THR . 5.3 m95 -74.03 -23.39 59.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 72.010000000000005 111.218 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 68' ' ' ALA . 42.3 mm -82.43 -11.92 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.514 . . . . 75.409999999999997 110.641 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.543 ' HE2' HG12 ' A' ' 69' ' ' VAL . 74.7 mmtt -63.63 -25.23 68.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.215 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 71' ' ' TRP . 14.4 t -88.56 -2.25 58.49 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.971 0.415 . . . . 72.430000000000007 110.616 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.238 0.542 . . . . 70.510000000000005 110.315 -179.849 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.72 0.295 . . . . 73.530000000000001 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HE3' ' OE2' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -119.69 126.43 51.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.095 0.474 . . . . 74.450000000000003 110.874 178.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.16 112.78 15.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 63.240000000000002 111.37 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.654 HD21 ' HB1' ' A' ' 68' ' ' ALA . 9.0 mp -111.65 -63.92 1.35 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.838 0.351 . . . . 52.43 111.931 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' A' ' 27' ' ' LEU . 58.9 mt -99.03 174.76 6.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 71.010000000000005 110.391 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -143.42 115.29 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 62.240000000000002 110.295 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.48 2.33 90.46 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.817 -0.706 . . . . 73.319999999999993 114.01 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 24' ' ' LEU . 7.7 mp -85.03 92.7 8.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.469 0.635 . . . . 65.430000000000007 110.438 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 18.2 t70 -63.22 167.38 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 64.329999999999998 110.033 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -53.0 -34.99 58.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.209 0.448 . . . . 64.109999999999999 112.209 -172.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.62 -34.49 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.641 0.258 . . . . 71.239999999999995 111.175 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -86.82 -38.1 17.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.358 0.599 . . . . 73.019999999999996 109.72 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.67 64.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.212 -0.904 . . . . 45.0 111.514 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -46.23 -45.41 16.98 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.665 0.603 . . . . 61.32 111.559 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.68 -41.81 95.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.195 0.521 . . . . 72.430000000000007 110.51 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 38' ' ' VAL . 58.4 t -65.95 -52.04 53.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.788 -0.642 . . . . 74.310000000000002 111.688 -177.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 tt -63.93 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.1 0.476 . . . . 65.230000000000004 110.887 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 54.530000000000001 111.614 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.9 p -71.3 -32.76 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.731 -0.388 . . . . 63.329999999999998 110.506 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.59 -50.63 64.39 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.725 -0.472 . . . . 72.439999999999998 109.725 175.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.83 -41.13 95.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 71.420000000000002 111.301 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -63.2 -38.48 91.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 62.109999999999999 111.184 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -87.34 7.4 29.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.613 -0.267 . . . . 71.549999999999997 111.287 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 60.9 31.59 20.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.376 0.608 . . . . 64.230000000000004 111.384 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 tt -104.26 132.53 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.226 -0.657 . . . . 65.25 109.226 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.88 134.12 49.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.353 0.597 . . . . 65.109999999999999 111.627 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.94 148.99 50.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.127 -0.942 . . . . 31.309999999999999 110.08 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -128.72 172.36 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.278 -0.419 . . . . 71.150000000000006 110.485 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -101.81 132.55 47.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 43.119999999999997 110.714 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 59' ' ' THR . 3.0 pt -116.53 120.9 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.974 0.416 . . . . 74.120000000000005 111.453 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -103.06 128.91 49.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.76 -0.655 . . . . 63.399999999999999 110.244 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.512 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 42.5 m -151.97 153.49 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.512 -0.551 . . . . 63.030000000000001 109.512 176.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.81 -49.53 70.08 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.457 0.543 . . . . 51.350000000000001 114.457 -172.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -91.5 -11.0 38.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.695 0.748 . . . . 60.219999999999999 110.631 -178.032 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.512 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 36.8 tp -81.47 -48.56 11.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 33.109999999999999 110.822 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.17 -86.57 1.2 Allowed Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.536 -0.756 . . . . 40.420000000000002 111.602 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.608 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -139.78 127.53 21.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.665 0.269 . . . . 75.239999999999995 110.565 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.9 m -151.81 166.5 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.493 -0.322 . . . . 70.519999999999996 110.745 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.402 HG13 HG12 ' A' ' 35' ' ' VAL . 20.7 mm -99.35 127.75 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.009 -0.541 . . . . 73.430000000000007 109.751 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.484 HG21 HG23 ' A' ' 49' ' ' ILE . 13.3 t -114.28 158.99 20.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.916 0.389 . . . . 34.450000000000003 110.099 177.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 68' ' ' ALA . 26.8 m -137.18 175.79 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.732 -0.667 . . . . 75.430000000000007 109.555 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.0 147.17 0.52 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.8 0.688 . . . . 63.130000000000003 111.141 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 21.3 tp10 -50.46 -54.17 37.83 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.881 0.697 . . . . 72.409999999999997 112.881 -169.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -85.44 -4.28 9.31 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.424 2.083 . . . . 52.530000000000001 113.298 -176.165 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.81 24.68 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.884 0.373 . . . . 64.209999999999994 111.567 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' HB2' ' HG2' ' A' ' 21' ' ' LYS . 79.3 t80 -60.92 -36.43 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 61.240000000000002 110.25 176.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -59.27 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 64.120000000000005 110.777 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.0 78.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.895 -0.593 . . . . 62.200000000000003 110.69 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.654 ' HB1' HD21 ' A' ' 23' ' ' LEU . . . -55.53 -49.48 72.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.593 . . . . 65.319999999999993 111.271 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 65' ' ' PHE . 84.1 t -63.71 -36.14 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 63.43 111.226 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.3 -37.12 84.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.57 -0.286 . . . . 64.540000000000006 110.558 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.418 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.6 m95 -70.63 -29.49 65.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.019 0.438 . . . . 73.209999999999994 110.35 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -74.34 -31.0 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.189 0.519 . . . . 74.25 109.815 174.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.31 -35.8 81.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.239999999999995 110.4 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.3 p -75.63 -5.48 45.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.903 0.382 . . . . 74.099999999999994 111.605 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.055 0.455 . . . . 73.150000000000006 110.618 176.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.123 0.487 . . . . 73.439999999999998 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -75.44 120.69 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.957 -0.565 . . . . 63.229999999999997 110.102 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.527 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 15.4 p-10 -79.01 105.96 10.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.742 0.782 . . . . 62.109999999999999 110.912 -177.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 tp -79.75 -22.82 42.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.62 -1.173 . . . . 74.450000000000003 110.213 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 35' ' ' VAL . 46.7 mt -135.13 160.51 38.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.56 -0.904 . . . . 54.219999999999999 108.56 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HE2' ' OD2' ' A' ' 22' ' ' ASP . 86.4 mttt -136.54 116.7 13.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.583 -0.447 . . . . 72.230000000000004 111.455 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.64 3.9 87.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.668 -0.696 . . . . 72.239999999999995 112.863 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 24' ' ' LEU . 16.2 tp -77.84 135.74 37.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.302 -0.258 . . . . 65.239999999999995 110.302 -177.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.528 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 13.8 t70 -80.09 157.51 26.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.293 -0.412 . . . . 74.049999999999997 109.921 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.79 -32.53 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.539 -0.3 . . . . 72.439999999999998 111.28 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 11.6 pt-20 -67.19 -31.78 72.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.173 0.511 . . . . 71.230000000000004 110.699 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -86.69 -26.85 24.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 71.150000000000006 110.08 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.85 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.646 -0.706 . . . . 50.539999999999999 111.222 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' HA ' HG22 ' A' ' 36' ' ' ILE . 21.7 t-20 -59.23 -39.6 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.345 . . . . 74.319999999999993 110.677 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.51 -29.31 67.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.46 . . . . 73.329999999999998 110.498 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 24' ' ' LEU . 96.7 t -76.97 -50.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 71.310000000000002 110.708 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.9 tt -62.61 -22.6 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 71.430000000000007 110.505 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.03 79.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 51.039999999999999 111.541 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 35' ' ' VAL . 6.3 p -71.29 -29.21 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 121.032 0.444 . . . . 75.010000000000005 110.444 -177.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 36' ' ' ILE . 3.0 mm? -75.71 -48.42 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 74.040000000000006 110.035 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.49 -37.86 88.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 73.319999999999993 111.055 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.54 -34.98 76.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.258 -0.428 . . . . 42.219999999999999 111.07 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -92.06 3.12 55.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 72.040000000000006 111.193 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 60.05 38.39 20.62 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.147 -0.478 . . . . 70.349999999999994 111.845 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.0 tt -99.22 150.2 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.673 -0.492 . . . . 73.540000000000006 109.673 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.88 111.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 73.340000000000003 110.763 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.9 113.98 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.925 0.393 . . . . 64.219999999999999 110.605 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -106.92 149.81 27.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 110.361 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -97.63 137.29 36.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.686 0.279 . . . . 72.140000000000001 110.294 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.835 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -117.72 130.59 72.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.279 -0.419 . . . . 63.329999999999998 110.854 178.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.76 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 53.299999999999997 111.258 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 55.8 m -158.14 157.61 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.69 -0.485 . . . . 75.319999999999993 109.69 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.07 67.25 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.934 -0.651 . . . . 75.109999999999999 112.375 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -9.65 46.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.117 0.484 . . . . 71.010000000000005 111.079 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.639 HD11 HD12 ' A' ' 49' ' ' ILE . 9.8 tt -113.9 -51.87 2.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.705 -0.679 . . . . 65.140000000000001 111.713 -166.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -113.32 3.84 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.624 -0.99 . . . . 74.120000000000005 110.624 -173.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -128.01 120.42 27.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.865 0.364 . . . . 74.219999999999999 110.129 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.446 ' HA ' HD12 ' A' ' 24' ' ' LEU . 62.2 m -136.58 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.131 0.491 . . . . 72.049999999999997 111.044 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mm -109.19 109.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.078 -0.965 . . . . 71.140000000000001 109.606 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.835 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.0 t -99.16 142.25 30.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.219 0.533 . . . . 61.219999999999999 110.132 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.07 173.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.426 -0.806 . . . . 61.229999999999997 109.237 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.99 144.09 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.275 0.36 . . . . 62.420000000000002 110.398 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 14.0 mp0 -53.69 -47.58 96.15 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.009 -0.541 . . . . 73.219999999999999 112.363 -176.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 16.7 Cg_endo -58.83 -39.81 78.14 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.934 1.756 . . . . 63.520000000000003 112.702 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.62 0.14 56.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.477 -0.329 . . . . 52.340000000000003 111.437 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.8 t80 -61.92 -31.53 71.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 110.658 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 5.4 t -59.84 -39.8 86.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 42.109999999999999 110.873 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.61 97.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.344 -0.389 . . . . 64.019999999999996 110.438 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.26 -39.46 82.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.942 -0.572 . . . . 62.049999999999997 110.636 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' PHE . 72.1 t -61.06 -44.07 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 72.109999999999999 110.62 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 66' ' ' THR . 53.9 m-85 -61.84 -41.08 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 74.040000000000006 111.052 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.402 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.6 m95 -62.25 -45.65 92.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.753 0.311 . . . . 75.400000000000006 110.703 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' ALA . 40.4 mm -68.55 -34.26 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 64.430000000000007 110.499 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 55.1 mmtt -64.98 -16.8 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 44.219999999999999 111.307 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m -90.01 -20.53 23.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.246 0.546 . . . . 71.040000000000006 110.299 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.13 176.921 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.711 0.291 . . . . 72.340000000000003 111.19 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.2 117.09 29.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.987 0.422 . . . . 72.099999999999994 111.568 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.86 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 1.8 m-20 -60.86 105.83 0.51 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.466 -0.788 . . . . 74.030000000000001 110.676 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -90.23 -62.45 1.46 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.331 0.586 . . . . 61.32 109.878 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 HD22 ' A' ' 27' ' ' LEU . 34.8 mt -112.16 138.55 48.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.532 -0.758 . . . . 73.409999999999997 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.86 ' HD2' ' HB3' ' A' ' 22' ' ' ASP . 3.7 mppt? -124.83 116.89 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.647 0.26 . . . . 63.539999999999999 110.862 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.92 8.42 51.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.845 -0.693 . . . . 65.519999999999996 112.895 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.524 HD22 HD13 ' A' ' 24' ' ' LEU . 7.5 mp -102.36 131.06 49.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 74.299999999999997 111.0 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -82.53 170.99 14.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.111 -0.7 . . . . 44.420000000000002 109.111 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.986 0.365 . . . . 74.450000000000003 111.986 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.823 0.344 . . . . 63.229999999999997 111.121 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -86.12 -41.23 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 70.099999999999994 109.721 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.98 -18.46 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.459 -0.791 . . . . 71.209999999999994 110.713 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' HG22 ' A' ' 36' ' ' ILE . 24.4 t-20 -51.65 -39.02 57.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.783 -0.644 . . . . 74.129999999999995 110.877 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.48 -35.79 70.65 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.628 -0.715 . . . . 73.340000000000003 111.005 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.452 HG11 HD11 ' A' ' 24' ' ' LEU . 88.1 t -87.64 -49.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.387 -0.824 . . . . 61.310000000000002 111.511 -174.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 33' ' ' ASN . 13.5 tt -57.36 -33.62 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.803 0.335 . . . . 74.25 111.389 -175.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.16 81.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 63.140000000000001 110.775 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -62.82 -46.8 95.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.76 -0.655 . . . . 63.5 111.098 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.3 mm? -63.71 -47.85 79.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.09 -0.505 . . . . 72.200000000000003 110.702 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 45.8 mt-30 -63.98 -32.13 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 54.240000000000002 110.556 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -64.55 -29.96 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 72.400000000000006 111.128 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -97.48 6.13 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.352 -0.385 . . . . 74.010000000000005 111.313 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t30 54.2 43.18 30.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.639 -0.71 . . . . 70.310000000000002 110.759 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.441 HG21 HD12 ' A' ' 39' ' ' LEU . 12.5 tt -102.96 138.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.798 -0.816 . . . . 65.129999999999995 108.798 174.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.27 109.0 2.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.056 -0.52 . . . . 60.229999999999997 111.495 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB1' HG23 ' A' ' 58' ' ' ILE . . . -104.52 131.01 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.863 -0.608 . . . . 70.439999999999998 110.917 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.563 ' HB2' HG23 ' A' ' 59' ' ' THR . 41.4 m-80 -111.51 154.61 24.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 43.210000000000001 109.577 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -100.9 113.88 27.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.816 0.341 . . . . 60.119999999999997 110.789 -172.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.65 HD13 ' HB ' ' A' ' 59' ' ' THR . 11.4 pt -115.59 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 74.329999999999998 111.052 177.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.64 141.45 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 74.230000000000004 110.348 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.436 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 70.2 m -162.22 165.35 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.995 -0.372 . . . . 72.430000000000007 109.995 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.37 -43.06 71.82 Favored Glycine 0 C--O 1.23 -0.139 0 C-N-CA 120.729 -0.748 . . . . 75.200000000000003 111.851 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -70.31 -15.04 62.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.14 0.495 . . . . 64.230000000000004 111.369 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 28.7 tp -113.93 -47.19 2.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.817 -0.628 . . . . 75.010000000000005 112.102 -164.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.76 -122.57 6.58 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.854 -1.298 . . . . 73.120000000000005 109.854 -169.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.03 118.36 26.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.236 -0.653 . . . . 73.310000000000002 109.236 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.64 164.2 18.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 72.400000000000006 111.594 -172.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 39' ' ' LEU . 37.6 mm -106.93 103.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.416 -0.811 . . . . 74.430000000000007 109.868 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.65 ' HB ' HD13 ' A' ' 49' ' ' ILE . 13.2 t -99.2 134.07 42.59 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.231 -0.655 . . . . 75.420000000000002 109.231 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -113.76 175.86 2.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.496 -0.557 . . . . 75.409999999999997 109.496 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 64' ' ' ASP . . . -44.39 137.89 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.739 0.649 . . . . 72.219999999999999 110.664 176.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.573 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.9 tp10 -52.17 -52.6 60.85 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.534 0.568 . . . . 74.150000000000006 112.534 -170.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 11.8 Cg_exo -72.46 -19.34 25.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.958 1.772 . . . . 64.239999999999995 112.163 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . 14.0 m-20 -90.48 2.14 56.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 71.209999999999994 111.209 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -60.65 -27.92 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.413 . . . . 70.209999999999994 110.129 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.411 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 3.8 t -56.05 -41.32 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.633 -0.712 . . . . 74.209999999999994 110.875 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.3 69.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 63.310000000000002 110.825 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.46 -46.16 66.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.879 -0.6 . . . . 73.150000000000006 111.386 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.25 -42.29 86.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.212 -0.449 . . . . 75.510000000000005 111.39 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.411 ' HD2' ' O ' ' A' ' 66' ' ' THR . 60.7 m-85 -77.19 -22.34 52.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.33 -0.395 . . . . 75.510000000000005 112.035 -176.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.439 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 1.6 m95 -70.59 -33.53 71.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.694 -0.484 . . . . 74.019999999999996 109.694 174.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 68' ' ' ALA . 26.2 mm -67.87 -25.35 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.357 0.598 . . . . 55.210000000000001 109.827 176.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 70' ' ' TYR . 74.0 mmtt -65.53 -16.7 63.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.587 -0.733 . . . . 75.5 111.32 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -89.76 -4.3 57.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.507 . . . . 74.420000000000002 110.593 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 121.279 0.562 . . . . 65.109999999999999 109.702 177.229 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 121.428 0.632 . . . . 72.329999999999998 110.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.78 123.62 38.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.336 -0.616 . . . . 74.340000000000003 109.336 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -74.67 104.46 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.599 -0.519 . . . . 72.219999999999999 109.599 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -96.4 -31.49 12.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.033 -0.531 . . . . 74.209999999999994 110.395 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 35' ' ' VAL . 47.3 mt -128.0 162.38 26.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.53 -0.915 . . . . 51.0 108.53 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -135.43 115.79 13.54 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.704 -0.398 . . . . 71.340000000000003 111.412 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.09 10.03 86.52 Favored Glycine 0 CA--C 1.52 0.369 0 CA-C-N 115.97 -0.559 . . . . 73.239999999999995 114.188 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD22 HD13 ' A' ' 24' ' ' LEU . 9.5 mp -78.45 155.75 29.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.412 0.625 . . . . 71.299999999999997 111.813 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -98.63 170.62 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.237 -0.892 . . . . 63.130000000000003 110.538 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -46.16 71.16 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.559 0.743 . . . . 73.430000000000007 112.04 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.66 -29.87 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.317 . . . . 72.120000000000005 111.267 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.43 -41.09 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.368 0.604 . . . . 75.439999999999998 109.756 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.64 -20.67 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.504 -0.771 . . . . 64.209999999999994 110.801 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -60.61 -43.98 96.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 74.430000000000007 110.392 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.51 -40.96 93.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 62.509999999999998 110.286 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 24' ' ' LEU . 45.9 t -65.37 -49.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 72.340000000000003 111.254 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.3 tt -63.25 -29.32 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.703 -0.226 . . . . 74.430000000000007 110.808 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.013 0.435 . . . . 42.329999999999998 110.135 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.01 -43.48 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 75.129999999999995 110.48 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.74 -45.96 73.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 54.450000000000003 110.577 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.77 -41.58 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 63.119999999999997 111.595 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ptp -70.74 -13.49 62.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 71.120000000000005 110.667 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -97.24 1.2 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.452 -0.34 . . . . 75.239999999999995 110.124 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 61.15 28.19 17.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 73.209999999999994 111.947 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.5 tt -97.19 149.42 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 74.040000000000006 110.224 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.38 104.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 71.129999999999995 110.47 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.51 129.01 56.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 51.210000000000001 110.925 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -116.92 151.17 37.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 64.420000000000002 109.743 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.29 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.395 -0.366 . . . . 73.049999999999997 110.202 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 pt -96.87 116.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.347 0.594 . . . . 64.129999999999995 111.026 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.99 104.51 13.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.236 -0.893 . . . . 71.120000000000005 109.743 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -142.84 142.99 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 73.230000000000004 110.379 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.03 -29.72 75.24 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.3 -0.476 . . . . 44.43 113.152 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 54' ' ' LEU . 44.3 pttt -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 74.409999999999997 111.499 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 16.1 tp -113.63 -30.92 6.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 53.009999999999998 112.113 -165.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.93 -117.51 5.61 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.541 -0.838 . . . . 74.030000000000001 111.074 -175.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -122.89 121.6 36.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 72.439999999999998 110.049 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 24' ' ' LEU . 51.1 m -149.47 166.67 28.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.01 0.433 . . . . 73.25 111.056 -178.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.2 mm -99.41 152.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.67 . . . . 72.209999999999994 109.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 t -145.16 162.62 36.63 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.005 -0.739 . . . . 60.200000000000003 109.005 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 m -125.98 173.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.604 0.24 . . . . 51.240000000000002 110.542 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 169.19 6.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.031 -0.532 . . . . 62.420000000000002 110.573 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 1.5 mp0 -57.01 -54.07 58.48 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 112.447 0.536 . . . . 74.319999999999993 112.447 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 7.9 Cg_exo -73.05 -21.43 20.64 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.313 2.009 . . . . 70.439999999999998 112.79 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 44' ' ' ILE . 3.6 m-20 -90.2 7.06 40.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.114 -0.494 . . . . 71.5 111.457 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.08 -39.62 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 73.150000000000006 111.947 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -68.4 -24.96 64.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.378 -0.374 . . . . 54.439999999999998 111.754 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -38.46 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.323 -0.235 . . . . 74.209999999999994 111.123 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.01 -40.57 67.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.95 -0.568 . . . . 70.319999999999993 111.823 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.02 -49.1 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 50.100000000000001 111.459 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.18 -27.96 63.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.383 -0.371 . . . . 74.209999999999994 111.821 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.44 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 2.4 m95 -73.24 -35.75 66.31 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.604 -0.438 . . . . 73.120000000000005 110.252 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.3 mm -73.01 -33.61 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 53.539999999999999 110.009 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -59.75 -24.42 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.789 -0.641 . . . . 70.329999999999998 110.424 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -93.53 -9.28 38.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.979 -0.555 . . . . 72.219999999999999 111.002 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.431 -0.349 . . . . 75.239999999999995 110.595 -178.22 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.639 ' N ' ' HG1' ' A' ' 59' ' ' THR . 16.9 m-20 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 121.272 0.558 . . . . 61.310000000000002 110.683 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.39 131.05 38.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.646 -0.706 . . . . 70.109999999999999 109.677 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.98 105.28 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.381 -0.6 . . . . 60.030000000000001 109.381 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 tp -94.64 -39.31 10.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 75.5 110.983 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.591 HD11 HG11 ' A' ' 35' ' ' VAL . 82.6 mt -121.16 161.78 21.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.526 -0.546 . . . . 73.219999999999999 109.526 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -124.82 115.95 21.49 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.886 -0.326 . . . . 71.340000000000003 110.959 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.63 46.88 80.62 Favored Glycine 0 C--N 1.33 0.227 0 O-C-N 123.82 0.7 . . . . 41.32 113.73 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 33.6 tp -113.22 128.04 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.911 -0.404 . . . . 72.439999999999998 109.911 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -78.74 157.84 28.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.689 0.281 . . . . 71.319999999999993 110.557 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.621 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 52.9 tt0 -60.73 -30.32 69.91 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 74.319999999999993 112.224 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.8 -42.02 88.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.896 0.379 . . . . 74.230000000000004 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -87.11 -27.29 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.09 0.472 . . . . 63.219999999999999 110.634 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -65.69 -19.81 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.977 -0.556 . . . . 62.299999999999997 110.928 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.27 -38.69 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 72.329999999999998 110.78 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -72.5 -22.39 61.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 72.450000000000003 110.652 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.2 t -88.92 -51.56 12.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.71 -0.677 . . . . 72.310000000000002 110.884 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.11 -26.15 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 72.329999999999998 111.335 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.25 85.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 44.43 111.526 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.5 p -73.05 -20.01 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.941 0.4 . . . . 51.210000000000001 110.862 -176.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.1 mm? -83.29 -58.66 2.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 63.030000000000001 110.156 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.75 -43.62 98.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.669 -0.696 . . . . 63.549999999999997 112.004 -172.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.26 -26.85 68.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 73.299999999999997 111.486 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -96.77 6.57 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.835 0.35 . . . . 74.019999999999996 110.675 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 62.25 27.27 16.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.589 -0.732 . . . . 32.039999999999999 112.522 172.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.2 tt -84.68 151.93 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 64.219999999999999 108.738 172.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.0 tp10 -54.26 100.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.846 0.355 . . . . 74.239999999999995 110.488 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -111.7 114.02 26.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 110.619 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.625 ' HB3' HG23 ' A' ' 59' ' ' THR . 15.2 t-20 -123.7 155.61 37.51 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.236 -0.654 . . . . 71.140000000000001 109.236 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -111.69 111.65 22.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 73.120000000000005 110.633 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 59' ' ' THR . 8.3 pt -99.0 130.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 64.109999999999999 111.365 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.39 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.659 -0.7 . . . . 64.340000000000003 109.166 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.475 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.6 m -148.87 151.96 35.62 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.223 -0.288 . . . . 72.5 110.223 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.15 99.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.138 -0.553 . . . . 72.019999999999996 112.965 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -82.66 -11.74 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 75.0 111.087 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 15.0 tp -113.98 -50.2 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.262 -0.426 . . . . 75.439999999999998 112.052 -166.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.1 -105.38 3.27 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.827 -0.701 . . . . 44.399999999999999 111.774 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.568 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 73.5 m-85 -116.89 122.85 45.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.739 0.304 . . . . 74.409999999999997 110.594 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.5 m -150.08 160.24 43.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.99 0.424 . . . . 73.120000000000005 110.959 174.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.465 HG21 ' HG ' ' A' ' 39' ' ' LEU . 24.3 mm -102.16 130.31 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.592 -0.731 . . . . 54.32 109.343 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.639 ' HG1' ' N ' ' A' ' 20' ' ' ASP . 11.1 t -116.92 143.49 45.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.071 0.462 . . . . 54.329999999999998 109.859 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 33.8 m -114.26 173.09 3.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.423 -0.808 . . . . 54.329999999999998 109.187 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -60.5 152.38 26.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.748 -0.464 . . . . 71.200000000000003 109.748 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.3 tt0 -52.8 -51.45 73.94 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 74.129999999999995 112.771 -173.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 12.9 Cg_exo -70.66 -13.56 32.52 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 75.200000000000003 112.786 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 61' ' ' ALA . 32.7 m-20 -97.13 2.41 51.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 73.230000000000004 111.346 -175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.63 -34.41 74.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.383 . . . . 72.230000000000004 110.943 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -58.68 -32.84 69.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.883 -0.599 . . . . 74.299999999999997 111.425 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.31 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.318 . . . . 51.329999999999998 110.56 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.572 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.02 -50.06 69.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 55.299999999999997 111.003 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 57.7 t -61.32 -38.2 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 55.539999999999999 110.665 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.58 -38.82 92.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 71.439999999999998 110.615 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.2 m95 -69.54 -37.54 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.319999999999993 110.902 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 68' ' ' ALA . 36.3 mm -65.76 -28.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 53.210000000000001 110.045 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 71.1 mmtt -70.99 -17.17 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 62.299999999999997 111.199 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 m -86.23 -8.89 57.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.229 0.538 . . . . 73.150000000000006 110.477 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.0 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 74.530000000000001 109.765 176.691 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 112.385 0.513 . . . . 75.519999999999996 112.385 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.764 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -85.5 116.17 23.65 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.547 -0.461 . . . . 72.230000000000004 110.193 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -69.89 124.83 25.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.119 -0.491 . . . . 71.439999999999998 110.844 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 58' ' ' ILE . 45.2 tp -106.5 -23.34 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 51.240000000000002 110.294 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.755 HD11 HG11 ' A' ' 35' ' ' VAL . 44.3 mt -140.08 160.42 39.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 74.340000000000003 110.009 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -129.24 115.68 18.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.708 0.289 . . . . 62.299999999999997 110.892 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.28 51.72 52.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.121 -0.561 . . . . 64.349999999999994 113.549 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 24' ' ' LEU . 8.6 mp -109.85 149.85 29.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.941 0.4 . . . . 70.099999999999994 110.187 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.14 172.8 7.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.962 -0.563 . . . . 73.540000000000006 110.038 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -58.87 -39.47 81.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.386 -0.37 . . . . 63.539999999999999 111.324 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.7 -30.9 71.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 63.130000000000003 111.076 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -78.24 -42.69 30.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 71.329999999999998 109.972 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.47 -20.1 66.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 43.0 111.398 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.48 -44.74 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 70.25 110.993 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -74.62 -33.32 62.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.205 0.526 . . . . 54.509999999999998 110.223 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.755 HG11 HD11 ' A' ' 24' ' ' LEU . 76.3 t -66.55 -50.71 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.544 -0.753 . . . . 71.319999999999993 111.459 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 tt -67.28 -23.8 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.963 0.411 . . . . 71.209999999999994 110.649 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.65 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 74.319999999999993 111.516 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.6 p -71.28 -29.63 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.79 0.329 . . . . 74.319999999999993 110.824 -177.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 38' ' ' VAL . 3.4 mm? -71.31 -51.75 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 60.130000000000003 110.048 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.73 -31.22 72.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 74.439999999999998 110.616 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.2 ttt -58.81 -34.82 71.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.574 . . . . 74.329999999999998 110.887 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -96.55 16.69 18.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.441 . . . . 71.230000000000004 111.303 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 m120 62.89 19.33 11.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.913 0.709 . . . . 75.540000000000006 112.913 171.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.7 tt -97.67 129.57 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.524 -0.547 . . . . 72.420000000000002 109.524 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 2.2 pm0 -66.76 122.6 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 71.430000000000007 111.339 -176.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.58 128.99 55.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.119 -0.946 . . . . 41.340000000000003 110.512 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.9 m120 -107.27 175.94 5.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.74 -0.664 . . . . 71.439999999999998 110.165 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -111.04 121.44 45.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.117 -0.492 . . . . 71.219999999999999 111.148 -173.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 59' ' ' THR . 3.7 pt -109.19 106.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.093 0.473 . . . . 74.200000000000003 109.841 170.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.44 142.35 40.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.63 -0.714 . . . . 73.400000000000006 110.532 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 50.7 m -154.69 159.67 40.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 51.109999999999999 109.746 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.44 97.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.115 -0.564 . . . . 62.420000000000002 112.818 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 5.1 tptm -90.05 -39.44 12.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.657 0.265 . . . . 53.520000000000003 111.089 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 17.9 tp -70.41 -32.44 70.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.43 -0.35 . . . . 74.340000000000003 111.268 -174.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.36 -129.12 9.13 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.734 -0.745 . . . . 75.129999999999995 111.591 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.72 119.36 38.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.896 0.379 . . . . 64.409999999999997 110.058 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 24' ' ' LEU . 60.5 m -136.88 158.85 43.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.377 -0.374 . . . . 75.409999999999997 110.343 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' HD23 ' A' ' 23' ' ' LEU . 42.4 mm -101.38 126.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.596 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.464 ' CG2' HG23 ' A' ' 49' ' ' ILE . 10.3 t -113.08 136.54 52.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.741 -0.837 . . . . 64.209999999999994 108.741 170.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 68' ' ' ALA . 34.7 m -113.47 175.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 109.159 -0.682 . . . . 74.340000000000003 109.159 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.99 114.22 0.58 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.918 -0.771 . . . . 52.32 108.918 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.44 -44.21 98.62 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.021 0.748 . . . . 64.420000000000002 113.021 -168.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.77 -17.71 56.5 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.914 1.743 . . . . 74.439999999999998 112.844 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.3 16.91 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.429 -0.351 . . . . 64.109999999999999 110.97 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -59.71 -27.7 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.047 0.451 . . . . 73.319999999999993 110.669 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -55.59 -37.68 68.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.738 -0.665 . . . . 74.439999999999998 111.115 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.71 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.373 -0.376 . . . . 72.409999999999997 110.429 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.65 -50.49 65.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.993 -0.549 . . . . 44.210000000000001 110.814 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.62 -42.37 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.821 -0.627 . . . . 74.349999999999994 110.896 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -66.11 -40.04 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 75.329999999999998 111.156 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.4 m95 -69.27 -44.18 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.955 -0.298 . . . . 64.239999999999995 110.647 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.52 ' CD1' HG13 ' A' ' 35' ' ' VAL . 41.9 mm -68.98 -27.69 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.099999999999994 110.943 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 12.7 tppt? -64.83 -22.85 67.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.262 0.553 . . . . 71.340000000000003 110.162 177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 m -90.55 -9.02 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.551 -0.75 . . . . 72.150000000000006 110.673 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--N 1.33 -0.241 0 N-CA-C 109.571 -0.529 . . . . 74.010000000000005 109.571 175.347 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.0 0.429 . . . . 74.129999999999995 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -79.38 123.0 27.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.221 -0.445 . . . . 72.409999999999997 109.868 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 5.1 p-10 -77.57 124.56 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.442 0.639 . . . . 73.129999999999995 110.551 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -95.37 -24.0 16.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.32 -0.854 . . . . 73.540000000000006 110.845 -176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.582 HD13 HD22 ' A' ' 27' ' ' LEU . 50.7 mt -127.69 167.78 15.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 73.329999999999998 110.035 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.634 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.3 mmpt? -118.28 115.44 24.72 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 122.91 0.131 . . . . 64.0 111.327 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.472 ' H ' HD12 ' A' ' 54' ' ' LEU . . . 49.32 66.51 2.18 Favored Glycine 0 C--N 1.335 0.514 0 O-C-N 123.615 0.572 . . . . 44.340000000000003 114.52 172.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' ' 24' ' ' LEU . 3.8 mp -113.38 139.43 48.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.959 0.409 . . . . 71.040000000000006 111.305 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 17.6 t70 -78.97 165.13 23.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.804 -0.635 . . . . 71.439999999999998 109.436 174.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -56.92 -38.33 72.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.626 -0.261 . . . . 75.510000000000005 111.548 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 6.8 pt-20 -67.36 -37.8 83.77 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.959 -0.296 . . . . 75.420000000000002 111.1 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.79 -37.47 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.996 0.427 . . . . 64.420000000000002 110.549 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.94 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 53.439999999999998 111.082 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.563 ' HA ' HG22 ' A' ' 36' ' ' ILE . 27.8 t-20 -60.26 -35.99 76.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.147 -0.478 . . . . 65.329999999999998 110.608 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.6 -37.99 85.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 63.130000000000003 110.716 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 24' ' ' LEU . 88.9 t -81.78 -46.32 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.63 . . . . 75.310000000000002 111.348 -176.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.563 HG22 ' HA ' ' A' ' 33' ' ' ASN . 16.0 tt -62.49 -29.29 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.717 0.294 . . . . 61.310000000000002 110.912 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.26 98.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.198 -0.455 . . . . 64.349999999999994 110.154 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' CE1' ' A' ' 42' ' ' HIS . 4.7 t -61.73 -48.54 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.559 . . . . 50.310000000000002 110.945 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' HG21 ' A' ' 58' ' ' ILE . 4.4 mm? -55.48 -52.78 62.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.593 0.235 . . . . 71.510000000000005 110.955 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' OE1' ' HA ' ' A' ' 40' ' ' GLN . 13.3 mm-40 -68.48 -30.08 68.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.715 0.265 . . . . 64.329999999999998 111.715 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.9 tpt -69.76 -19.8 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 62.009999999999998 110.529 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.427 ' CE1' HG13 ' A' ' 38' ' ' VAL . 64.4 m80 -98.29 7.04 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 74.400000000000006 110.505 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 59.83 31.26 20.68 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.637 -0.71 . . . . 71.200000000000003 112.097 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.74 144.95 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.989 -0.374 . . . . 72.049999999999997 109.989 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.77 132.68 53.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.009 -0.541 . . . . 73.340000000000003 111.042 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -124.86 114.74 19.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.535 -0.757 . . . . 74.310000000000002 109.631 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -104.96 154.9 19.49 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.583 -0.525 . . . . 73.420000000000002 109.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -95.96 144.28 26.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.875 0.369 . . . . 72.510000000000005 110.396 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 22' ' ' ASP . 1.2 pt -120.2 89.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 44.109999999999999 109.828 171.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -83.48 117.17 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.543 -0.753 . . . . 73.150000000000006 110.53 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -154.2 140.24 18.34 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.393 -0.822 . . . . 60.439999999999998 109.852 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.82 80.21 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 121.106 -0.568 . . . . 65.349999999999994 112.398 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -63.49 -26.81 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.595 0.358 . . . . 74.040000000000006 111.856 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 57' ' ' SER . 43.9 tp -114.68 -52.39 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 53.229999999999997 112.492 -169.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.9 -115.15 4.57 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.604 -0.998 . . . . 61.210000000000001 110.604 -171.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.06 122.08 31.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.075 0.464 . . . . 74.400000000000006 110.822 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.549 ' HB2' HD21 ' A' ' 54' ' ' LEU . 68.0 m -149.71 170.77 17.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 62.43 110.369 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -95.49 143.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.206 -0.452 . . . . 53.43 110.635 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.462 HG21 HG23 ' A' ' 49' ' ' ILE . 5.3 t -135.91 163.13 30.97 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.794 -0.817 . . . . 74.010000000000005 108.794 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.51 172.91 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.77 0.319 . . . . 73.040000000000006 110.773 -176.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.539 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -68.86 160.48 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 71.310000000000002 110.108 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 23.6 mp0 -53.9 -52.51 67.23 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.442 0.534 . . . . 71.329999999999998 112.442 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 71.5 Cg_endo -74.59 -8.17 20.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.834 1.69 . . . . 72.319999999999993 113.166 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.539 ' OD1' ' HB3' ' A' ' 61' ' ' ALA . 10.1 m-20 -98.76 -0.23 43.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 55.149999999999999 110.408 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.81 -47.42 77.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.81 -0.632 . . . . 60.439999999999998 111.782 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -61.65 -37.26 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 75.349999999999994 111.45 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.63 94.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 61.439999999999998 110.844 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.554 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.8 -41.8 74.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 41.520000000000003 110.927 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 61.2 t -61.2 -46.97 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 72.099999999999994 111.073 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -60.71 -41.02 94.41 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.317 -0.402 . . . . 74.530000000000001 111.44 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.4 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.5 m95 -68.55 -39.14 81.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.59 -0.277 . . . . 75.010000000000005 110.787 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.0 mm -65.58 -38.65 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.653 -0.249 . . . . 74.310000000000002 111.016 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 42.0 mtmt -58.8 -33.22 70.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.517 . . . . 73.140000000000001 110.511 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -86.4 -15.87 39.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.589 -0.732 . . . . 60.039999999999999 110.551 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.721 -0.672 . . . . 75.340000000000003 110.974 179.44 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.544 ' HA ' HG21 ' A' ' 49' ' ' ILE . 1.9 m-20 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 111.9 0.333 . . . . 73.030000000000001 111.9 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -101.7 113.82 27.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.233 -1.025 . . . . 72.310000000000002 108.233 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.62 106.17 14.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.814 0.816 . . . . 72.120000000000005 111.156 -172.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.013 HD21 HG13 ' A' ' 72' ' ' ILE . 58.8 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.884 -1.053 . . . . 53.350000000000001 110.007 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 57' ' ' SER . 51.2 mt -92.36 164.84 13.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 73.420000000000002 109.766 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -140.46 115.8 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.162 -0.31 . . . . 70.329999999999998 110.162 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 25.7 62.04 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.848 -0.691 . . . . 55.25 113.683 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.573 HD22 HD13 ' A' ' 24' ' ' LEU . 10.1 mp -102.66 151.74 22.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.177 0.488 . . . . 73.120000000000005 110.909 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -101.46 176.12 5.34 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.172 -0.677 . . . . 62.350000000000001 109.172 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -62.73 -37.1 85.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.444 0.298 . . . . 75.129999999999995 110.808 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.17 -37.67 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 73.420000000000002 111.577 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.508 ' HG3' HD23 ' A' ' 27' ' ' LEU . 52.8 tp60 -86.59 -33.32 20.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 71.340000000000003 110.406 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.69 69.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 43.450000000000003 110.533 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 74.510000000000005 110.963 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.49 -29.23 66.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.533 . . . . 64.230000000000004 110.33 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 HD12 ' A' ' 72' ' ' ILE . 78.3 t -77.67 -51.43 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.377 -0.828 . . . . 64.019999999999996 110.933 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.503 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.3 tt -65.38 -20.76 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.025 0.441 . . . . 65.040000000000006 110.711 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.09 77.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 55.299999999999997 111.274 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.3 p -74.59 -27.93 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.863 -0.335 . . . . 75.319999999999993 110.528 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 36' ' ' ILE . 3.1 mm? -73.52 -43.91 58.94 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.506 -0.553 . . . . 63.219999999999999 109.506 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.78 -44.55 93.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.616 -0.72 . . . . 73.120000000000005 110.389 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.8 tpt -68.6 -20.71 64.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 61.329999999999998 110.731 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -93.89 2.41 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.873 0.368 . . . . 65.510000000000005 110.18 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 62.58 33.36 15.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.526 -0.761 . . . . 60.439999999999998 111.942 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 tt -113.73 131.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.958 -0.386 . . . . 64.109999999999999 109.958 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.48 130.99 38.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.356 0.598 . . . . 71.140000000000001 111.098 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 151.8 35.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 43.229999999999997 110.423 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.404 ' HB2' HG23 ' A' ' 59' ' ' THR . 16.1 m120 -105.89 163.2 12.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.223 -0.444 . . . . 62.210000000000001 110.376 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -104.3 125.32 50.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.104 -0.498 . . . . 72.109999999999999 110.901 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 20' ' ' ASP . 6.9 pt -115.13 102.69 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.221 0.534 . . . . 75.0 110.626 174.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -100.41 128.85 46.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.675 -0.693 . . . . 64.129999999999995 110.616 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 44.7 m -152.85 152.41 31.53 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.204 -0.665 . . . . 74.019999999999996 109.204 176.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.09 -46.61 94.2 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.047 -0.597 . . . . 71.099999999999994 113.345 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -78.06 -10.26 59.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 73.519999999999996 111.127 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 41.5 tp -105.62 -46.53 4.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 73.109999999999999 111.334 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.9 -128.56 8.99 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.475 -0.65 . . . . 62.229999999999997 111.475 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -106.69 119.49 39.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.911 0.386 . . . . 75.219999999999999 110.247 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 24' ' ' LEU . 53.6 m -139.96 155.89 46.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.114 -0.493 . . . . 62.140000000000001 110.915 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.402 HD11 ' HB ' ' A' ' 36' ' ' ILE . 43.1 mm -95.97 134.73 32.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 75.409999999999997 109.885 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.405 HG21 HG23 ' A' ' 49' ' ' ILE . 2.4 t -130.98 161.85 31.03 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.934 -0.395 . . . . 63.119999999999997 109.934 174.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -141.92 173.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.406 -0.59 . . . . 61.109999999999999 109.406 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.27 140.78 16.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.459 0.474 . . . . 51.409999999999997 110.517 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 2.6 mp0 -45.38 -52.18 23.22 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.218 0.821 . . . . 73.25 113.218 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 15.3 Cg_exo -68.96 -23.95 33.94 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.985 1.79 . . . . 63.520000000000003 112.683 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -87.56 2.49 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 74.150000000000006 111.074 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -57.57 -36.41 71.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.903 -0.59 . . . . 73.519999999999996 110.954 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -60.07 -28.91 68.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.853 -0.612 . . . . 74.519999999999996 111.483 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.56 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 73.319999999999993 110.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.68 -49.3 70.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.885 -0.598 . . . . 64.150000000000006 110.908 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.29 -40.55 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.509 . . . . 70.239999999999995 110.775 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -64.27 -47.59 78.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 74.400000000000006 111.063 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -67.42 -40.48 85.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 72.530000000000001 111.047 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.013 HG13 HD21 ' A' ' 23' ' ' LEU . 39.9 mm -71.71 -31.22 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.855 0.359 . . . . 73.129999999999995 110.97 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.03 -25.46 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.332 0.587 . . . . 63.329999999999998 110.063 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -77.34 -24.85 50.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 74.549999999999997 110.634 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.3 t80 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 65.219999999999999 110.893 -179.38 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 114.497 1.295 . . . . 61.25 114.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -54.05 116.53 2.63 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.465 0.306 . . . . 75.439999999999998 111.13 -172.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.71 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 p-10 -75.38 125.41 28.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.618 -0.719 . . . . 72.329999999999998 110.536 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 tp -92.5 -20.03 21.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.408 -0.815 . . . . 71.519999999999996 110.166 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 27' ' ' LEU . 29.4 mt -142.58 152.79 42.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.386 -0.824 . . . . 74.120000000000005 109.837 -173.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -131.62 116.61 17.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 72.120000000000005 110.588 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.44 19.6 54.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.836 -0.697 . . . . 73.109999999999999 113.053 174.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' HG ' ' OE1' ' A' ' 31' ' ' GLN . 8.7 mp -100.76 146.13 27.63 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.594 -0.357 . . . . 51.009999999999998 110.5 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -101.83 178.36 4.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 74.140000000000001 110.352 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -59.83 -38.61 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 70.219999999999999 110.631 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.75 -31.07 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.93 -0.577 . . . . 71.230000000000004 111.318 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.596 ' OE1' ' HG ' ' A' ' 27' ' ' LEU . 78.8 mt-30 -87.08 -41.42 13.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.171 0.51 . . . . 73.239999999999995 110.307 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.32 -19.19 65.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 70.420000000000002 111.237 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -54.74 -36.82 65.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 70.420000000000002 111.594 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.41 -37.73 36.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.307 0.575 . . . . 71.430000000000007 110.162 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG11 HD11 ' A' ' 24' ' ' LEU . 90.6 t -60.38 -52.06 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 64.450000000000003 111.472 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 tt -73.15 -19.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.82 0.343 . . . . 75.030000000000001 110.937 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.05 96.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 74.140000000000001 111.147 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 35' ' ' VAL . 7.2 p -73.9 -26.68 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.056 0.455 . . . . 42.009999999999998 110.34 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.531 HD12 HG13 ' A' ' 38' ' ' VAL . 10.8 mp -73.54 -46.44 47.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 63.049999999999997 110.419 176.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.6 -36.19 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 73.010000000000005 111.217 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -64.68 -35.69 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.037 0.446 . . . . 71.420000000000002 110.784 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -87.92 -6.65 57.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.342 -0.39 . . . . 60.229999999999997 111.071 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 61.06 31.71 19.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.543 0.687 . . . . 65.099999999999994 110.947 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.1 tt -82.86 145.93 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.145 -0.687 . . . . 44.439999999999998 109.145 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.81 110.34 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.025 0.44 . . . . 64.219999999999999 110.847 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.32 123.42 43.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.963 -0.562 . . . . 64.519999999999996 110.607 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.68 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.0 m120 -105.88 158.15 16.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.655 -0.869 . . . . 74.439999999999998 108.655 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -114.98 137.98 51.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.742 -0.383 . . . . 71.239999999999995 111.275 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.704 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.1 pt -137.64 127.55 36.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 74.439999999999998 111.22 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -110.56 132.58 54.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.971 -0.559 . . . . 60.119999999999997 109.976 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 57.7 m -156.33 159.64 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.223 -0.288 . . . . 74.209999999999994 110.223 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.12 -44.55 87.06 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.884 -0.674 . . . . 62.399999999999999 112.196 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -67.43 -15.72 63.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.08 0.467 . . . . 74.010000000000005 111.527 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 22' ' ' ASP . 2.6 tt -113.5 -42.66 3.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.985 -0.552 . . . . 72.230000000000004 112.363 -167.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 -115.2 4.39 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.921 -0.871 . . . . 72.120000000000005 110.921 -173.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.58 115.57 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.482 -0.933 . . . . 65.519999999999996 108.482 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.684 ' HB2' HD11 ' A' ' 54' ' ' LEU . 70.4 m -151.05 179.71 8.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.153 0.502 . . . . 72.450000000000003 111.484 -175.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.434 HG21 HD22 ' A' ' 39' ' ' LEU . 9.2 mm -109.85 149.2 12.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.364 -0.835 . . . . 62.509999999999998 110.882 -174.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.704 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.3 t -134.6 158.62 43.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.626 -1.25 . . . . 53.340000000000003 107.626 169.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.5 m -130.21 172.42 15.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 C-N-CA 120.747 -0.381 . . . . 63.240000000000002 110.619 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 147.64 36.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 71.450000000000003 109.829 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 42.4 mt-10 -54.64 -47.98 96.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.409 0.522 . . . . 52.450000000000003 112.409 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 23.0 Cg_endo -63.45 -32.29 71.26 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.722 1.614 . . . . 64.549999999999997 112.798 175.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.621 ' HB3' HD11 ' A' ' 44' ' ' ILE . 1.8 m-20 -85.89 1.49 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.708 0.29 . . . . 74.219999999999999 111.528 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.81 -28.78 69.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 65.439999999999998 110.95 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -58.56 -41.35 85.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.905 -0.589 . . . . 63.140000000000001 111.087 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.02 58.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 55.240000000000002 111.386 -175.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.499 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.78 -55.55 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 72.510000000000005 111.224 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.65 -29.24 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.098 0.475 . . . . 74.340000000000003 110.467 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -67.02 -44.57 79.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 74.409999999999997 110.762 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -73.06 -46.84 49.43 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.435 -0.348 . . . . 64.549999999999997 111.234 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.528 HD12 HG13 ' A' ' 35' ' ' VAL . 32.8 mm -70.97 -8.68 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.284 0.564 . . . . 73.25 111.557 -172.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 73' ' ' LYS . 36.0 ttmt -62.3 -23.51 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.253 -0.431 . . . . 62.310000000000002 110.603 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.9 p -81.28 -15.15 56.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.043 0.449 . . . . 73.5 111.259 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 75.329999999999998 110.605 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.709 0.29 . . . . 61.32 111.328 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HE3' ' HD1' ' A' ' 65' ' ' PHE . 1.7 mptp? -134.49 126.61 29.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 73.450000000000003 110.149 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.1 106.18 9.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 61.329999999999998 110.357 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 HG13 ' A' ' 72' ' ' ILE . 20.9 tp -93.0 -51.09 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.596 -0.729 . . . . 72.349999999999994 111.225 -173.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 23' ' ' LEU . 5.7 mp -117.36 173.25 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.102 -0.333 . . . . 74.540000000000006 110.102 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -140.27 116.76 10.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.566 0.222 . . . . 51.030000000000001 111.083 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.11 -31.97 8.13 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.769 -0.729 . . . . 61.5 113.829 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 31' ' ' GLN . 6.4 mp -65.43 146.08 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 74.109999999999999 111.103 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -98.74 179.75 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.99 -0.55 . . . . 73.109999999999999 109.517 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -47.44 76.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.427 . . . . 75.219999999999999 110.758 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.97 -31.2 68.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 54.32 112.255 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.6 mp0 -86.8 -32.12 20.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.022 0.439 . . . . 64.420000000000002 110.645 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.85 -19.39 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 74.439999999999998 110.888 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -51.65 -46.27 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 72.239999999999995 111.296 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.58 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.315 0.578 . . . . 71.030000000000001 110.509 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 38' ' ' VAL . 45.1 t -83.96 -52.79 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.577 -0.738 . . . . 71.129999999999995 110.684 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.0 tt -60.43 -26.0 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.841 0.353 . . . . 30.030000000000001 111.184 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.14 77.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 72.430000000000007 111.267 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.2 p -76.79 -27.44 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.353 . . . . 75.019999999999996 110.722 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.589 HD21 HD11 ' A' ' 72' ' ' ILE . 3.3 mm? -70.91 -49.0 50.57 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.643 -0.503 . . . . 74.349999999999994 109.643 175.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.82 -40.18 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 52.329999999999998 110.046 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.97 -32.91 68.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.274 -0.875 . . . . 62.310000000000002 111.552 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -92.86 1.91 57.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.494 -0.321 . . . . 74.019999999999996 111.707 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.54 20.91 11.64 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.983 0.42 . . . . 70.219999999999999 111.571 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.558 HD11 ' HB3' ' A' ' 64' ' ' ASP . 10.8 tt -87.48 150.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.96 -0.564 . . . . 74.239999999999995 109.644 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' O ' HG12 ' A' ' 60' ' ' VAL . 4.5 tp10 -54.56 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.366 0.416 . . . . 70.420000000000002 110.706 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -110.36 113.13 25.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 75.109999999999999 109.954 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.676 ' HB3' HG23 ' A' ' 59' ' ' THR . 66.5 t30 -118.6 140.79 49.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.987 -0.551 . . . . 71.420000000000002 109.862 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -98.29 104.92 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 73.25 110.912 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.409 HG23 ' CG2' ' A' ' 59' ' ' THR . 8.8 pt -90.32 123.35 42.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.968 0.414 . . . . 73.519999999999996 110.761 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -109.26 135.9 49.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.692 -0.685 . . . . 70.549999999999997 110.318 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.593 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 39.3 m -154.75 169.27 24.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.929 -0.578 . . . . 61.229999999999997 109.724 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.66 -37.03 10.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 71.540000000000006 112.104 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -80.61 -30.71 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.202 0.525 . . . . 71.430000000000007 110.554 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 7.4 tt -98.62 -35.14 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.63 -0.714 . . . . 74.420000000000002 111.427 -173.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.8 -113.48 4.1 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.157 -0.777 . . . . 71.530000000000001 111.157 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -131.29 138.17 49.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.904 0.383 . . . . 75.010000000000005 110.324 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.1 m -149.02 165.69 30.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 111.039 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.495 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.5 mm -102.48 108.36 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.562 -0.745 . . . . 70.540000000000006 109.73 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 47' ' ' ASN . 12.3 t -101.12 153.3 19.7 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.808 -0.441 . . . . 64.310000000000002 109.808 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 68' ' ' ALA . 21.9 m -128.76 173.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.271 -0.422 . . . . 75.150000000000006 110.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.87 149.0 50.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.048 -0.524 . . . . 64.209999999999994 110.615 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.549 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 13.2 mp0 -51.31 -45.55 89.66 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 112.784 0.661 . . . . 64.219999999999999 112.784 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 18.1 Cg_endo -61.41 -11.78 21.15 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.264 1.976 . . . . 72.329999999999998 113.712 177.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.558 ' HB3' HD11 ' A' ' 44' ' ' ILE . 52.2 m-20 -114.54 22.64 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 75.409999999999997 110.526 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HD1' ' HE3' ' A' ' 21' ' ' LYS . 90.3 t80 -49.81 -59.34 3.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.813 -0.631 . . . . 63.409999999999997 112.468 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -71.51 -23.35 61.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.708 0.289 . . . . 43.109999999999999 111.473 -174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.73 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.408 -0.36 . . . . 63.130000000000003 110.977 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.51 -51.42 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.022 -0.535 . . . . 74.319999999999993 111.497 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.11 -34.26 67.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 75.019999999999996 110.789 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -74.23 -29.17 61.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 75.019999999999996 111.55 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.2 m95 -76.59 -20.73 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 74.150000000000006 110.894 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 68' ' ' ALA . 21.5 mm -88.47 -5.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.004 0.43 . . . . 74.439999999999998 110.313 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -53.75 -27.14 26.91 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.749 0.648 . . . . 62.100000000000001 112.749 -173.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 p -70.02 -21.53 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.928 0.344 . . . . 64.140000000000001 111.928 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 71.109999999999999 111.39 178.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 121.487 0.661 . . . . 54.509999999999998 109.919 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -86.14 128.83 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 75.120000000000005 109.699 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.01 132.02 35.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.345 0.593 . . . . 34.439999999999998 110.226 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 tp -107.89 -40.55 5.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.883 -0.598 . . . . 74.209999999999994 110.754 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 35' ' ' VAL . 41.1 mt -114.89 167.34 10.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.87 -0.605 . . . . 73.109999999999999 110.023 -174.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -134.5 115.62 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.558 0.218 . . . . 75.140000000000001 110.565 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 52.08 9.1 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.129 -0.557 . . . . 72.019999999999996 114.179 172.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.572 HD22 HD13 ' A' ' 24' ' ' LEU . 7.5 mp -118.87 150.87 39.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.98 0.39 . . . . 73.519999999999996 110.132 172.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.68 176.69 6.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.398 . . . . 74.25 110.106 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.61 -57.97 10.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.508 0.323 . . . . 75.140000000000001 111.611 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.63 -23.9 66.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 72.120000000000005 110.993 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.35 -32.03 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.138 0.494 . . . . 70.0 110.088 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.91 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.711 -0.677 . . . . 63.329999999999998 111.209 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' HA ' HG22 ' A' ' 36' ' ' ILE . 8.8 t30 -54.99 -41.53 71.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.34 -0.391 . . . . 41.119999999999997 111.311 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.5 tp10 -60.52 -46.09 91.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.974 0.416 . . . . 75.129999999999995 110.067 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 24' ' ' LEU . 60.7 t -68.21 -45.92 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 72.430000000000007 111.419 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.557 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 17.8 tt -64.3 -32.29 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.896 -0.322 . . . . 52.119999999999997 110.534 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.1 82.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 54.219999999999999 110.174 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 34' ' ' GLU . 69.8 t -56.01 -53.14 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.284 -0.416 . . . . 63.119999999999997 110.349 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 46' ' ' ALA . 4.5 mm? -56.89 -51.08 70.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 73.010000000000005 110.976 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.18 -37.47 87.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.31 -0.405 . . . . 53.530000000000001 111.272 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -66.36 -24.14 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 54.329999999999998 111.135 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -89.12 11.94 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 72.140000000000001 110.864 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 65.4 28.03 11.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.906 -0.588 . . . . 74.230000000000004 112.504 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 64' ' ' ASP . 14.8 tt -112.4 145.11 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.256 -0.646 . . . . 54.340000000000003 109.256 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.62 104.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.441 0.638 . . . . 70.450000000000003 111.343 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -99.01 114.65 27.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.42 -0.809 . . . . 42.5 110.035 178.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 59' ' ' THR . 25.1 t-20 -107.24 145.1 33.1 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.193 -0.458 . . . . 75.329999999999998 109.772 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -89.15 123.83 33.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.58 . . . . 70.329999999999998 110.981 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.571 HD13 ' HB ' ' A' ' 59' ' ' THR . 25.4 pt -122.42 118.84 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.128 0.49 . . . . 71.519999999999996 110.822 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -109.57 139.41 44.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.99 -0.55 . . . . 74.420000000000002 109.992 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -157.57 151.84 24.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.596 -0.52 . . . . 71.340000000000003 109.596 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.71 -43.6 98.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.754 -0.736 . . . . 63.299999999999997 112.836 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -73.78 -16.79 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.842 0.353 . . . . 70.319999999999993 111.81 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.1 tp -113.63 -39.42 4.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.926 0.393 . . . . 74.439999999999998 111.846 -168.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.33 -125.12 7.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.696 -0.962 . . . . 64.120000000000005 110.696 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -117.13 121.45 41.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.999 0.428 . . . . 71.329999999999998 110.106 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.8 m -140.43 170.04 16.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.964 -0.562 . . . . 61.299999999999997 110.512 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.4 mm -108.03 141.6 22.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.863 -0.608 . . . . 64.209999999999994 109.718 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.571 ' HB ' HD13 ' A' ' 49' ' ' ILE . 4.0 t -127.41 152.88 46.95 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.914 -0.402 . . . . 62.240000000000002 109.914 176.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 ' HB2' ' A' ' 68' ' ' ALA . 27.7 m -134.09 175.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.859 -0.609 . . . . 60.009999999999998 109.952 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 139.5 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.699 0.624 . . . . 72.439999999999998 110.427 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.58 -55.88 20.05 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.818 0.673 . . . . 70.400000000000006 112.818 -173.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -73.58 -5.87 17.79 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.738 1.625 . . . . 62.399999999999999 112.949 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' HB3' HD11 ' A' ' 44' ' ' ILE . 4.0 m-20 -103.24 11.43 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.44 . . . . 74.540000000000006 110.714 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.96 -36.58 77.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 64.030000000000001 110.289 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -62.13 -34.91 77.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 61.130000000000003 110.986 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.13 72.95 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.465 -0.334 . . . . 71.109999999999999 110.203 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.627 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -56.69 -49.23 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 73.140000000000001 110.527 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 -36.54 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 73.510000000000005 110.593 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -62.66 -38.49 90.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.818 -0.628 . . . . 54.340000000000003 110.711 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -71.76 -31.74 66.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 73.230000000000004 110.646 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 68' ' ' ALA . 51.9 mm -63.95 -19.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 75.109999999999999 110.918 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 17.3 mmtt -65.78 -15.67 63.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.389 0.514 . . . . 70.030000000000001 112.389 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.2 p -85.64 1.49 49.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 64.409999999999997 110.465 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.3 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.656 . . . . 72.409999999999997 110.574 179.335 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 121.299 0.571 . . . . 65.140000000000001 110.174 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.917 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 10.2 mmpt? -73.53 116.61 14.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.702 -0.681 . . . . 52.130000000000003 110.745 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.37 129.75 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 75.099999999999994 110.626 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 72' ' ' ILE . 20.1 tp -111.64 -45.17 3.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.475 -0.784 . . . . 72.329999999999998 109.841 -177.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 35' ' ' VAL . 62.1 mt -137.15 138.48 40.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.124 -0.943 . . . . 72.420000000000002 109.377 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 9.1 mtpm? -114.23 123.05 48.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.138 0.494 . . . . 75.010000000000005 111.951 -174.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.24 40.59 10.05 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.626 -0.716 . . . . 50.520000000000003 112.405 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD22 HD13 ' A' ' 24' ' ' LEU . 20.4 tp -116.79 129.47 56.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.957 -0.386 . . . . 73.340000000000003 109.957 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.09 160.62 27.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.367 -0.379 . . . . 64.510000000000005 110.103 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -61.7 -33.65 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 74.030000000000001 109.821 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.63 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 50.25 110.613 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.84 -22.22 34.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 51.210000000000001 110.852 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 27' ' ' LEU . . . -62.49 -18.5 61.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.817 -0.629 . . . . 54.109999999999999 111.136 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -46.96 -43.02 18.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.399 -0.818 . . . . 71.450000000000003 111.96 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.0 -43.9 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.157 0.504 . . . . 61.310000000000002 110.952 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 24' ' ' LEU . 45.7 t -79.07 -42.61 23.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.774 -0.648 . . . . 73.430000000000007 111.633 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.36 -31.83 52.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.676 0.274 . . . . 72.010000000000005 110.665 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.63 92.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 60.520000000000003 110.473 177.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.97 -54.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 71.230000000000004 110.485 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.409999999999997 110.808 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.75 -47.46 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 74.140000000000001 111.028 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mmm -66.9 -25.51 66.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.359 . . . . 74.010000000000005 111.583 -177.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -82.93 7.95 13.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.614 0.245 . . . . 54.549999999999997 111.006 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 63.46 22.19 13.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.864 -0.607 . . . . 65.040000000000006 111.968 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 tt -100.49 145.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.048 -0.723 . . . . 74.430000000000007 109.048 175.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 60' ' ' VAL . 41.4 tt0 -69.47 124.67 24.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.363 -0.381 . . . . 43.420000000000002 111.496 -173.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.48 114.21 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.053 -0.521 . . . . 53.509999999999998 110.846 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.605 ' HB2' HG23 ' A' ' 59' ' ' THR . 45.1 m-80 -113.98 156.82 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.426 -0.352 . . . . 53.240000000000002 110.185 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.84 142.92 27.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 42.329999999999998 111.987 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.551 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.8 pt -143.29 104.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 63.200000000000003 109.498 167.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.574 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 20.7 t70 -108.13 131.21 54.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.922 0.391 . . . . 73.209999999999994 110.427 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.7 m -156.34 151.99 27.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.786 -0.643 . . . . 75.099999999999994 109.334 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.98 95.1 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.756 -0.735 . . . . 72.230000000000004 112.933 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -70.6 -17.92 62.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 64.430000000000007 111.241 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tt -113.45 -53.21 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.229 -0.441 . . . . 61.100000000000001 111.987 -166.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 95.36 -134.05 11.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.504 -1.039 . . . . 41.119999999999997 110.504 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 31.3 m-85 -111.94 119.42 38.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.04 0.448 . . . . 72.049999999999997 111.056 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.407 ' OG ' HD21 ' A' ' 54' ' ' LEU . 45.5 m -120.45 159.29 25.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.861 -0.609 . . . . 74.049999999999997 110.338 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.4 mm -96.24 100.41 10.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.086 -0.709 . . . . 72.349999999999994 109.086 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.605 HG23 ' HB2' ' A' ' 47' ' ' ASN . 14.5 t -92.5 133.59 35.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.78 0.8 . . . . 62.340000000000003 110.39 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 45' ' ' GLU . 34.1 m -113.97 174.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.833 -1.076 . . . . 71.409999999999997 108.58 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.06 142.06 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.067 -0.346 . . . . 74.019999999999996 110.067 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 55.2 mt-10 -54.75 -48.24 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 112.936 0.717 . . . . 75.200000000000003 112.936 -172.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 40.6 Cg_endo -68.01 -14.45 41.07 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.713 1.609 . . . . 65.319999999999993 112.771 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -97.91 -0.68 44.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 44.450000000000003 111.227 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 69' ' ' VAL . 47.6 t80 -59.05 -31.14 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 53.43 110.931 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -55.9 -43.62 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.949 -0.568 . . . . 70.329999999999998 111.466 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.53 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 55.109999999999999 110.772 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.593 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -57.26 -46.6 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 72.540000000000006 110.959 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 65' ' ' PHE . 68.7 t -58.62 -40.5 79.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.187 -0.461 . . . . 71.340000000000003 110.828 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.84 -38.34 83.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 111.019 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.7 m95 -67.75 -33.14 74.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.585 -0.28 . . . . 74.420000000000002 110.871 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -65.5 -22.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 73.439999999999998 111.362 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -63.15 -22.87 67.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 72.340000000000003 111.119 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.6 p -79.44 -12.88 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 73.239999999999995 111.012 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.53 -0.545 . . . . 75.049999999999997 109.53 177.663 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HA ' HG21 ' A' ' 59' ' ' THR . 12.7 p-10 . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 121.38 0.609 . . . . 64.400000000000006 111.605 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 34.6 mmtm -145.79 149.76 34.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 74.230000000000004 110.602 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.516 ' HB3' HD11 ' A' ' 54' ' ' LEU . 7.4 p-10 -77.71 133.28 38.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.721 . . . . 75.200000000000003 110.976 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HB ' ' A' ' 58' ' ' ILE . 34.2 tp -112.43 -28.72 7.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.602 -0.726 . . . . 71.129999999999995 110.08 174.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 27' ' ' LEU . 67.0 mt -133.87 175.67 9.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 72.019999999999996 109.606 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -140.13 125.41 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.371 0.137 . . . . 71.329999999999998 111.371 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.27 94.5 Favored Glycine 0 C--N 1.333 0.372 0 O-C-N 123.596 0.56 . . . . 53.030000000000001 113.307 173.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 24' ' ' LEU . 12.8 tp -112.73 144.89 41.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.093 -0.336 . . . . 65.049999999999997 110.093 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.23 161.51 14.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.779 0.324 . . . . 73.209999999999994 110.383 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -54.95 -35.41 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.779 -0.646 . . . . 72.140000000000001 111.533 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.61 -35.58 79.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 64.409999999999997 111.081 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.504 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 47.3 mt-30 -81.13 -27.81 35.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 75.329999999999998 110.483 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.2 -22.85 67.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.739 -0.664 . . . . 75.409999999999997 111.098 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.59 -40.91 69.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.064 -0.516 . . . . 61.149999999999999 110.953 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.45 -30.73 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.63 -0.714 . . . . 64.319999999999993 110.839 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 24' ' ' LEU . 34.1 t -89.42 -45.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 70.540000000000006 111.357 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 tt -61.72 -31.52 51.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.851 0.358 . . . . 73.409999999999997 111.238 -175.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.95 73.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.095 -0.502 . . . . 65.140000000000001 110.87 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.0 -46.26 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.607 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.9 mm? -64.89 -52.97 53.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.057 -0.519 . . . . 75.530000000000001 110.965 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.51 -28.5 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 73.209999999999994 111.214 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 ttm -70.02 -35.91 74.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.407 . . . . 70.450000000000003 110.771 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -87.94 15.98 6.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 111.091 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.87 26.21 11.13 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.553 0.575 . . . . 73.099999999999994 112.553 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.44 128.26 70.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.987 -0.375 . . . . 70.099999999999994 109.987 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.31 121.82 11.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.932 -0.577 . . . . 53.030000000000001 110.777 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 113.99 23.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.691 -0.686 . . . . 63.340000000000003 110.603 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -105.99 155.29 19.52 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.43 -0.582 . . . . 71.310000000000002 109.43 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -105.1 133.35 50.02 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 121.042 -0.263 . . . . 62.329999999999998 110.515 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 57' ' ' SER . 1.1 pt -93.43 103.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 55.399999999999999 110.594 174.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.02 102.0 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 50.32 109.732 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.8 m -152.57 117.11 5.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 65.340000000000003 109.431 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.96 -30.54 76.18 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 121.223 -0.513 . . . . 53.409999999999997 113.08 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.78 -36.02 50.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.156 0.503 . . . . 74.349999999999994 110.838 -178.774 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 22' ' ' ASP . 5.3 tt -86.53 -40.48 15.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 110.307 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.83 168.88 29.73 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.557 -1.017 . . . . 72.400000000000006 110.557 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -76.16 117.74 18.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 72.129999999999995 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.623 ' HB2' HD11 ' A' ' 49' ' ' ILE . 75.6 m -133.44 169.7 16.57 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.156 -0.929 . . . . 65.329999999999998 110.104 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.561 HG21 ' HG ' ' A' ' 39' ' ' LEU . 34.8 mm -100.47 120.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.91 -0.586 . . . . 74.120000000000005 110.584 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.547 HG21 ' HA ' ' A' ' 20' ' ' ASP . 31.9 m -113.85 133.43 55.42 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.802 -0.635 . . . . 74.230000000000004 109.92 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 31.5 m -123.54 173.46 9.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.105 -0.498 . . . . 65.109999999999999 111.274 -174.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.56 149.94 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 72.519999999999996 110.986 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.581 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 55.7 mp0 -49.87 -54.52 31.48 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.906 0.706 . . . . 55.509999999999998 112.906 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 18.4 Cg_exo -67.67 -14.51 42.16 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.868 1.712 . . . . 72.319999999999993 113.053 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -107.36 3.71 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.568 0.21 . . . . 72.400000000000006 111.568 -176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.543 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 61.8 t80 -59.86 -49.85 76.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 72.310000000000002 111.312 -176.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 t -62.31 -29.42 70.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 74.209999999999994 111.108 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.86 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 64.030000000000001 110.341 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.1 -39.35 81.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 71.099999999999994 111.012 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 65' ' ' PHE . 62.0 t -61.12 -35.14 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.968 -0.56 . . . . 73.200000000000003 110.718 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.29 -34.03 65.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 71.209999999999994 110.788 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -68.65 -25.92 65.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 60.509999999999998 110.84 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.2 mm -68.11 -23.77 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.035 -0.53 . . . . 74.030000000000001 110.727 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 65.7 mmtt -62.49 -33.34 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 73.519999999999996 111.627 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -76.48 -26.7 55.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 71.140000000000001 111.359 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.117 0.484 . . . . 73.409999999999997 110.55 -178.664 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 113.078 0.77 . . . . 65.25 113.078 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -124.31 126.08 45.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.878 -0.416 . . . . 63.100000000000001 109.878 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' HB3' ' HE3' ' A' ' 25' ' ' LYS . 4.4 m-20 -70.3 105.59 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 64.219999999999999 109.834 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 58' ' ' ILE . 18.0 tp -96.13 -61.37 1.45 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 64.340000000000003 110.134 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 35' ' ' VAL . 67.4 mt -115.71 137.02 52.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.836 -0.62 . . . . 73.319999999999993 109.627 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 22' ' ' ASP . 11.2 mptt -113.63 115.57 28.11 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.561 -0.455 . . . . 75.219999999999999 110.39 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.96 -19.51 33.79 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.018 -0.61 . . . . 74.349999999999994 113.288 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.452 HD22 HD22 ' A' ' 24' ' ' LEU . 7.9 mp -67.88 138.98 56.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.884 0.373 . . . . 75.099999999999994 111.002 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HA ' ' HD1' ' A' ' 56' ' ' TYR . 17.4 t70 -85.19 166.6 16.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.847 -0.615 . . . . 71.329999999999998 109.619 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.709 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 10.5 pt20 -70.72 -17.13 62.82 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.001 -0.279 . . . . 60.009999999999998 111.231 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -57.85 -41.44 82.37 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.356 0.598 . . . . 75.230000000000004 109.604 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.01 -36.96 24.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.382 -0.826 . . . . 65.329999999999998 110.004 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -64.43 -19.99 65.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.714 -0.676 . . . . 74.319999999999993 111.376 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.51 -43.7 79.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 63.43 110.283 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.78 -32.33 70.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.421 0.629 . . . . 61.539999999999999 110.188 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 24' ' ' LEU . 80.9 t -71.12 -51.32 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.204 -0.907 . . . . 74.129999999999995 111.377 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 tt -70.96 -23.93 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.828 0.347 . . . . 75.120000000000005 110.684 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.33 96.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.206 -0.452 . . . . 44.210000000000001 111.171 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.6 p -68.08 -31.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.414 . . . . 64.430000000000007 110.177 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 44' ' ' ILE . 9.2 mp -64.58 -49.23 71.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 74.109999999999999 110.406 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -59.32 -40.12 85.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 74.109999999999999 110.809 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.1 mtt -75.76 -4.28 39.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 111.815 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -113.08 9.83 18.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 63.539999999999999 110.869 175.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 t30 63.34 25.46 14.66 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.474 -0.785 . . . . 62.219999999999999 111.807 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 39' ' ' LEU . 11.6 tt -96.16 150.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.047 -0.408 . . . . 71.150000000000006 110.055 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.34 137.12 56.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.417 -0.356 . . . . 74.329999999999998 110.455 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.93 121.19 20.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.828 0.347 . . . . 64.209999999999994 110.654 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.577 ' HB2' HG23 ' A' ' 59' ' ' THR . 81.2 m-20 -109.84 151.61 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.372 -0.377 . . . . 53.399999999999999 110.32 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -103.84 119.2 38.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.263 -0.426 . . . . 74.219999999999999 110.419 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.441 HD13 ' HB ' ' A' ' 59' ' ' THR . 28.4 pt -125.63 118.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 72.299999999999997 111.267 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.16 139.64 43.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.695 -0.684 . . . . 75.349999999999994 109.328 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.1 m -153.75 142.03 20.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.907 -0.405 . . . . 64.319999999999993 109.907 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.61 92.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.275 -0.488 . . . . 54.43 113.433 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -12.7 54.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.957 0.378 . . . . 73.450000000000003 111.915 -176.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 65.3 tp -110.88 -38.8 5.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 70.540000000000006 111.643 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.36 -126.52 8.95 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.75 -0.94 . . . . 74.329999999999998 110.75 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 28' ' ' ASP . 96.7 m-85 -123.84 119.09 28.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.844 0.354 . . . . 72.409999999999997 110.436 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -124.17 158.5 32.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.186 0.517 . . . . 70.420000000000002 111.008 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' HD22 ' A' ' 23' ' ' LEU . 13.8 mm -111.44 100.95 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.603 -0.888 . . . . 60.350000000000001 108.603 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 47' ' ' ASN . 10.6 t -90.46 151.91 21.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.187 0.518 . . . . 54.219999999999999 110.863 -174.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.47 174.32 11.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.51 -0.768 . . . . 72.099999999999994 109.453 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.71 154.6 40.24 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.666 -0.494 . . . . 74.109999999999999 109.666 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 4.9 mp0 -53.24 -47.66 95.16 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.755 0.65 . . . . 60.509999999999998 112.755 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 31.2 Cg_exo -62.14 -20.68 70.69 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.066 1.844 . . . . 41.240000000000002 113.072 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -98.87 1.27 45.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.511 -0.313 . . . . 74.209999999999994 111.07 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.39 -44.52 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 75.319999999999993 111.331 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -66.86 -24.67 66.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 74.030000000000001 111.184 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.89 -42.86 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 75.209999999999994 110.653 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.626 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.88 -52.3 60.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.734 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.61 -37.71 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 72.010000000000005 110.832 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.7 -40.14 93.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 63.32 110.909 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.32 -38.75 81.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.006 0.432 . . . . 71.109999999999999 110.577 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 68' ' ' ALA . 29.1 mm -66.64 -29.64 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.55 . . . . 73.319999999999993 110.695 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -62.38 -36.86 83.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 71.099999999999994 110.76 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.59 44.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.012 0.375 . . . . 74.25 112.012 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.077 0.465 . . . . 74.540000000000006 109.913 173.722 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.773 0.797 . . . . 73.340000000000003 112.221 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 9.9 mmpt? -113.52 142.81 45.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.831 -1.077 . . . . 72.120000000000005 108.344 170.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HB2' HD11 ' A' ' 54' ' ' LEU . 15.8 p-10 -79.3 105.81 10.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.641 0.734 . . . . 71.010000000000005 111.398 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 68' ' ' ALA . 46.2 tp -76.18 -41.06 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.137 -0.938 . . . . 75.010000000000005 110.463 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD13 HD22 ' A' ' 27' ' ' LEU . 35.6 mt -126.72 155.14 43.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.163 -0.926 . . . . 73.540000000000006 108.893 -177.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.26 116.74 14.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.785 -0.366 . . . . 64.510000000000005 110.8 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.34 39.57 5.97 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.772 -0.728 . . . . 71.319999999999993 113.3 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.585 HD22 HD13 ' A' ' 24' ' ' LEU . 8.6 mp -115.47 157.26 24.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 73.530000000000001 111.046 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.75 -178.99 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.54 -0.754 . . . . 64.409999999999997 109.744 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.67 -32.66 72.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 65.519999999999996 110.59 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.92 -57.37 12.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.43 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -66.93 -22.84 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.404 . . . . 55.109999999999999 110.895 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.1 65.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 60.100000000000001 111.391 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.32 -44.43 87.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.92 0.39 . . . . 52.229999999999997 110.234 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.322 0.582 . . . . 75.120000000000005 110.56 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 38' ' ' VAL . 87.5 t -69.02 -53.71 24.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.297 -0.865 . . . . 64.049999999999997 111.685 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 tt -59.94 -23.82 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.771 0.319 . . . . 74.439999999999998 111.205 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.22 97.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 74.299999999999997 111.264 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.2 p -72.57 -29.86 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.687 -0.405 . . . . 72.129999999999995 110.508 -177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.36 -46.2 61.03 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.733 -0.469 . . . . 73.349999999999994 109.733 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.18 -45.4 91.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 54.200000000000003 111.211 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -59.14 -37.08 76.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 62.109999999999999 111.969 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.23 3.68 54.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.571 -0.452 . . . . 62.020000000000003 111.206 -177.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 64.02 24.2 13.49 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.749 -0.659 . . . . 65.349999999999994 112.315 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.0 tt -86.74 147.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.775 -0.454 . . . . 63.119999999999997 109.775 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.1 124.19 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.584 -0.28 . . . . 64.439999999999998 110.631 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.07 126.06 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 73.400000000000006 110.916 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -117.67 165.64 13.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.929 -0.578 . . . . 75.530000000000001 109.984 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -99.08 139.52 34.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.201 -0.454 . . . . 71.030000000000001 111.1 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.561 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.9 pt -128.8 102.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.282 0.563 . . . . 75.140000000000001 110.73 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -101.83 124.81 48.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.356 -0.838 . . . . 71.150000000000006 109.884 175.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -151.65 163.86 38.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 109.926 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.72 85.65 Favored Glycine 0 N--CA 1.454 -0.118 0 C-N-CA 120.799 -0.715 . . . . 71.340000000000003 112.476 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' ' 54' ' ' LEU . 15.7 ptmt -67.94 -22.26 65.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.818 0.342 . . . . 73.530000000000001 111.774 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.591 HD13 ' HE2' ' A' ' 53' ' ' LYS . 7.4 tp -113.91 -44.16 3.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.813 0.671 . . . . 62.210000000000001 112.813 -164.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 92.72 -127.25 8.9 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.412 -1.075 . . . . 63.439999999999998 110.412 -170.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.43 118.96 35.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.878 0.371 . . . . 63.240000000000002 110.063 174.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -141.7 178.16 7.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.393 -0.367 . . . . 75.239999999999995 111.15 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 mm -108.04 144.95 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.073 -0.512 . . . . 25.129999999999999 110.331 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 49' ' ' ILE . 1.9 t -135.49 158.03 45.41 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.989 -1.115 . . . . 71.510000000000005 107.989 170.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 35.9 m -134.64 174.2 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 121.122 -0.231 . . . . 72.219999999999999 110.87 -172.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.49 142.08 14.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 72.239999999999995 110.746 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.575 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 38.2 mt-10 -53.04 -50.67 80.76 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.634 0.605 . . . . 44.030000000000001 112.634 -174.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 20.1 Cg_exo -66.96 -24.25 45.97 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.746 1.63 . . . . 74.209999999999994 112.412 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.562 ' HB3' HD11 ' A' ' 44' ' ' ILE . 42.9 m-20 -96.56 3.82 52.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.092 -0.504 . . . . 74.209999999999994 111.771 -175.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 63.6 t80 -63.86 -34.73 78.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 62.119999999999997 111.054 -176.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -62.68 -26.9 68.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.913 0.387 . . . . 54.149999999999999 110.766 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.91 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.392 -0.367 . . . . 61.140000000000001 110.614 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.63 -46.59 73.94 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.026 0.441 . . . . 75.019999999999996 110.631 176.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.38 -38.2 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.78 -0.646 . . . . 70.409999999999997 110.65 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.35 -47.42 85.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 73.219999999999999 110.13 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -67.3 -38.33 84.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 72.219999999999999 110.86 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 68' ' ' ALA . 48.2 mm -72.27 -29.76 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.873 0.368 . . . . 75.239999999999995 110.642 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -66.66 -24.43 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.131 0.491 . . . . 64.230000000000004 110.099 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.6 m -78.33 -22.9 47.39 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.573 -0.74 . . . . 63.420000000000002 110.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 72.239999999999995 109.804 177.167 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 121.406 0.622 . . . . 73.450000000000003 111.388 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -125.65 116.36 21.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.782 -0.645 . . . . 72.450000000000003 109.587 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.87 105.61 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 75.120000000000005 110.252 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 tp -102.64 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.228 0.537 . . . . 75.409999999999997 110.565 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD11 HG11 ' A' ' 35' ' ' VAL . 32.5 mt -112.54 163.6 14.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.828 -0.624 . . . . 54.119999999999997 109.962 -174.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -133.39 124.62 27.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.536 0.208 . . . . 73.510000000000005 110.612 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.69 60.0 9.52 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 116.037 -0.529 . . . . 64.120000000000005 113.393 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 HD13 ' A' ' 24' ' ' LEU . 16.8 tp -124.0 149.63 45.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.883 0.341 . . . . 71.400000000000006 110.621 -178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.89 174.09 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 72.219999999999999 110.732 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -74.72 -41.84 59.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.37 -0.377 . . . . 61.549999999999997 110.935 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.83 -29.31 70.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.82 0.343 . . . . 65.109999999999999 110.854 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.05 -36.53 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 70.329999999999998 110.334 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.7 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 75.140000000000001 110.482 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HA ' HG22 ' A' ' 36' ' ' ILE . 7.8 t30 -58.43 -41.77 85.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.78 -0.645 . . . . 64.430000000000007 110.719 176.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.1 -33.92 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.257 0.551 . . . . 71.430000000000007 110.399 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.811 HG11 HD11 ' A' ' 24' ' ' LEU . 73.1 t -76.22 -50.11 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 71.219999999999999 111.023 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.552 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.2 tt -62.46 -23.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.799 0.333 . . . . 71.239999999999995 110.356 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.89 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 74.319999999999993 111.357 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 35' ' ' VAL . 10.0 p -72.27 -31.82 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.846 -0.341 . . . . 73.299999999999997 110.429 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.535 HD12 HG21 ' A' ' 44' ' ' ILE . 3.4 mm? -71.43 -53.84 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 71.120000000000005 110.366 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -63.32 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.727 -0.67 . . . . 60.200000000000003 110.667 -176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 tpp -59.3 -39.3 82.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 54.100000000000001 110.956 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -91.9 8.75 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.943 0.401 . . . . 71.099999999999994 110.795 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 67.2 t30 59.31 32.49 21.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.359 -0.837 . . . . 64.0 111.675 174.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.535 HG21 HD12 ' A' ' 39' ' ' LEU . 11.8 tt -84.79 149.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.024 -0.732 . . . . 62.329999999999998 109.024 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -67.24 97.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.148 0.499 . . . . 74.209999999999994 111.022 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.03 124.53 45.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.354 -0.839 . . . . 45.329999999999998 110.502 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.556 ' HB2' HG23 ' A' ' 59' ' ' THR . 6.4 m-20 -114.26 154.39 28.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.239 -0.652 . . . . 72.439999999999998 109.239 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -97.79 136.39 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.701 -0.227 . . . . 74.409999999999997 110.68 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.521 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.6 pt -129.35 130.33 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 63.329999999999998 111.257 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -109.66 128.42 55.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 73.450000000000003 109.907 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.657 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 29.1 m -153.1 165.84 34.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.908 -0.404 . . . . 75.510000000000005 109.908 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.36 -49.13 12.51 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.768 -0.729 . . . . 71.219999999999999 113.387 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -76.94 -16.68 59.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.442 0.639 . . . . 73.120000000000005 110.441 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 4.2 tt -103.46 -32.67 9.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.25 -0.886 . . . . 75.209999999999994 111.17 -173.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.38 -117.57 5.58 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.157 -0.777 . . . . 72.129999999999995 111.157 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -115.71 118.94 34.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.399 -0.593 . . . . 73.209999999999994 109.399 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.596 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.4 m -146.4 178.42 8.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.014 0.435 . . . . 52.039999999999999 110.841 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.552 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 10.4 mm -110.91 138.37 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.726 -0.67 . . . . 64.349999999999994 110.852 -173.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.556 HG23 ' HB2' ' A' ' 47' ' ' ASN . 11.4 t -121.67 143.29 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.368 -0.975 . . . . 72.430000000000007 108.368 169.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.75 174.77 2.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 120.946 -0.301 . . . . 63.140000000000001 110.55 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.58 146.33 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 124.024 0.827 . . . . 52.25 111.43 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.6 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.6 tp10 -48.75 -54.77 24.24 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.577 -0.738 . . . . 74.129999999999995 112.884 -171.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 19.3 Cg_endo -91.37 0.6 4.66 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.178 1.919 . . . . 74.549999999999997 112.882 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.46 14.46 31.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.025 0.44 . . . . 74.230000000000004 111.18 -173.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.67 -27.37 67.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 72.329999999999998 110.579 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.6 t -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.625 -0.716 . . . . 50.32 111.346 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.3 51.57 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.276 -0.268 . . . . 73.049999999999997 110.276 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.61 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.17 -52.17 59.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.565 . . . . 52.119999999999997 110.672 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.03 -38.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 73.230000000000004 110.77 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -68.06 -40.18 82.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 72.200000000000003 110.768 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.43 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.5 m95 -72.06 -36.33 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.334 . . . . 72.129999999999995 110.631 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.9 mm -66.97 -35.39 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 65.439999999999998 110.167 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.26 -23.05 67.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.236 0.541 . . . . 63.140000000000001 110.149 175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.0 m -90.22 -18.71 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.861 -0.609 . . . . 70.409999999999997 110.461 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.2 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 71.049999999999997 110.535 178.58 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HA ' ' OG1' ' A' ' 59' ' ' THR . 7.9 m-20 . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.296 0.569 . . . . 74.430000000000007 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.746 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 26.4 mmmt -130.14 143.95 51.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.388 -0.824 . . . . 74.120000000000005 110.014 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -81.57 105.5 12.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.485 0.659 . . . . 63.310000000000002 110.374 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD22 ' HB1' ' A' ' 68' ' ' ALA . 61.7 tp -89.37 -29.62 18.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.499 -0.773 . . . . 73.430000000000007 110.138 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.755 HD11 HG11 ' A' ' 35' ' ' VAL . 54.5 mt -126.1 148.84 49.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.543 -0.753 . . . . 52.409999999999997 109.744 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 7.7 mmpt? -113.76 116.77 29.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.553 -0.294 . . . . 74.109999999999999 110.537 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.31 62.56 6.16 Favored Glycine 0 N--CA 1.451 -0.347 0 O-C-N 123.707 0.629 . . . . 73.129999999999995 113.4 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' CD2' HD13 ' A' ' 24' ' ' LEU . 16.8 tp -121.56 153.73 37.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.887 -0.412 . . . . 43.119999999999997 109.887 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.48 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 14.0 t70 -101.33 160.45 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 62.530000000000001 109.745 177.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.37 -28.86 69.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.593 -0.276 . . . . 74.519999999999996 110.988 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.806 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 8.2 pt-20 -57.92 -42.62 85.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.26 0.552 . . . . 62.329999999999998 111.046 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.806 ' HG3' ' HG3' ' A' ' 30' ' ' GLU . 68.2 mt-30 -87.17 -20.97 26.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.696 -0.683 . . . . 62.409999999999997 110.922 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.33 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 74.430000000000007 111.286 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -53.59 -38.87 64.37 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.904 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -74.6 -33.59 62.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 71.400000000000006 110.659 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.755 HG11 HD11 ' A' ' 24' ' ' LEU . 94.8 t -75.81 -50.4 23.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 54.32 111.023 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HB ' HD11 ' A' ' 58' ' ' ILE . 15.2 tt -59.8 -25.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.827 0.346 . . . . 64.420000000000002 111.27 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.37 86.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.023 -0.535 . . . . 52.420000000000002 111.461 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 35' ' ' VAL . 6.2 p -74.17 -28.31 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.8 0.333 . . . . 53.009999999999998 110.628 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.1 mm? -75.78 -55.03 6.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.715 0.293 . . . . 72.219999999999999 110.354 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.77 -39.04 87.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 75.450000000000003 111.173 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.06 -41.1 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.969 0.414 . . . . 64.310000000000002 110.522 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -82.2 0.79 39.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 72.420000000000002 111.74 -176.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 66.1 24.52 10.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 54.420000000000002 112.088 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 tt -91.01 133.12 33.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.942 -0.762 . . . . 72.340000000000003 108.942 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.92 112.03 2.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 61.409999999999997 111.158 -175.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.34 132.54 54.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.987 -0.551 . . . . 70.450000000000003 110.621 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -127.38 174.35 9.06 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.348 -0.612 . . . . 74.430000000000007 109.348 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 130.9 52.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.483 0.183 . . . . 74.420000000000002 110.549 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.09 89.81 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.43 -0.582 . . . . 71.129999999999995 109.43 168.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -78.16 108.92 11.82 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.654 -0.703 . . . . 74.140000000000001 110.553 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -154.88 128.88 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.687 -0.688 . . . . 53.210000000000001 109.469 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.1 83.76 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.572 -0.823 . . . . 64.109999999999999 112.771 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.951 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -79.26 -9.76 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 73.409999999999997 110.797 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -109.24 -44.01 4.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.297 0.57 . . . . 71.099999999999994 110.087 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.09 -128.84 9.59 Favored Glycine 0 N--CA 1.443 -0.888 0 N-CA-C 110.395 -1.082 . . . . 73.030000000000001 110.395 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -134.76 118.86 17.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.215 0.531 . . . . 73.349999999999994 110.013 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 50.3 m -142.52 171.78 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.628 -0.715 . . . . 61.420000000000002 110.316 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.527 HG21 ' HG ' ' A' ' 39' ' ' LEU . 35.7 mm -91.02 129.36 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.026 -0.534 . . . . 65.209999999999994 110.885 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 20' ' ' ASP . 10.4 t -126.46 131.33 51.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.462 -0.57 . . . . 63.350000000000001 109.462 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.6 173.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.053 -0.521 . . . . 63.009999999999998 109.831 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.75 130.71 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.304 -0.628 . . . . 64.209999999999994 109.304 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.746 ' HG2' ' HG2' ' A' ' 21' ' ' LYS . 40.1 mt-10 -58.97 -39.19 72.27 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.343 0.868 . . . . 71.209999999999994 113.343 -171.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 11.2 Cg_endo -57.51 -35.85 98.78 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.588 1.525 . . . . 72.109999999999999 112.304 171.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.86 0.81 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 111.536 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.94 -29.91 70.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.82 0.343 . . . . 75.230000000000004 110.817 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 t -63.54 -27.55 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 73.209999999999994 110.878 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.17 -43.24 29.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.8 -0.444 . . . . 62.229999999999997 109.8 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.23 -47.96 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.841 -0.618 . . . . 75.439999999999998 110.814 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.98 -40.28 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 60.509999999999998 111.074 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -68.77 -37.86 79.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 64.450000000000003 111.076 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.4 m95 -67.28 -44.31 79.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 74.040000000000006 110.452 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 68' ' ' ALA . 39.5 mm -70.89 -23.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 64.439999999999998 110.548 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -66.95 -18.59 65.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.245 0.545 . . . . 70.129999999999995 110.317 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -93.04 -8.29 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.43 0.633 . . . . 73.209999999999994 110.202 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 73.230000000000004 110.274 -179.017 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.414 ' N ' ' HG1' ' A' ' 59' ' ' THR . 4.0 p30 . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 113.099 0.777 . . . . 64.329999999999998 113.099 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 44.6 mmtm -121.26 135.42 55.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.143 -0.348 . . . . 72.129999999999995 111.04 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.11 105.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.49 -0.777 . . . . 71.0 111.093 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 tp -83.52 -40.18 19.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.25 0.548 . . . . 61.229999999999997 110.227 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 35' ' ' VAL . 66.9 mt -124.75 145.71 49.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.68 . . . . 74.209999999999994 110.201 -176.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -118.85 116.2 26.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.714 0.292 . . . . 73.049999999999997 110.788 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.72 46.12 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.722 -0.751 . . . . 71.209999999999994 113.325 174.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.571 HD22 HD13 ' A' ' 24' ' ' LEU . 7.4 mp -68.0 141.92 56.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.044 0.422 . . . . 75.409999999999997 110.651 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.68 178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.986 -0.552 . . . . 70.420000000000002 110.116 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.3 -44.3 95.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 74.200000000000003 110.474 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.44 -29.16 70.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.326 -0.852 . . . . 64.430000000000007 111.675 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -86.7 -27.95 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.14 0.495 . . . . 74.140000000000001 110.663 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.42 65.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 61.229999999999997 111.607 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -51.59 -43.49 62.49 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.084 -0.507 . . . . 73.540000000000006 111.527 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.69 -35.7 72.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.226 0.536 . . . . 72.230000000000004 110.52 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 24' ' ' LEU . 91.6 t -70.53 -45.95 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.586 -0.734 . . . . 73.230000000000004 111.209 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 tt -70.57 -26.12 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.73 -0.388 . . . . 75.209999999999994 110.594 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 41' ' ' MET . . . -66.82 -53.13 35.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.475 -0.33 . . . . 73.310000000000002 110.972 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.09 -28.7 45.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.094 0.473 . . . . 61.100000000000001 110.294 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.597 ' HG ' ' CG2' ' A' ' 44' ' ' ILE . 9.2 tp -69.47 -49.22 56.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 74.400000000000006 109.914 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -60.55 -29.13 68.96 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.857 -0.61 . . . . 73.140000000000001 110.977 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 37' ' ' ALA . 91.2 mtp -62.18 -18.51 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 70.409999999999997 111.368 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -104.51 5.9 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.625 -0.261 . . . . 72.040000000000006 110.913 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.74 24.71 13.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.103 0.561 . . . . 62.130000000000003 111.731 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.692 HD11 ' HB3' ' A' ' 64' ' ' ASP . 11.1 tt -88.3 150.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.63 -0.507 . . . . 73.540000000000006 109.63 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.5 tp10 -55.5 143.88 27.88 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 73.310000000000002 110.99 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.01 121.65 18.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 110.914 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.464 ' HB3' HG23 ' A' ' 59' ' ' THR . 17.9 t-20 -132.33 134.66 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 109.909 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 1.8 mppt? -92.02 122.76 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.761 -0.375 . . . . 73.150000000000006 110.695 -177.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.494 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.3 pt -112.56 111.53 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.924 0.392 . . . . 44.310000000000002 110.165 173.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -107.78 140.53 40.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.086 -0.507 . . . . 75.310000000000002 109.96 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 75.6 m -160.53 146.58 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.839 -0.619 . . . . 74.019999999999996 109.879 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.11 -24.89 65.65 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 121.09 -0.576 . . . . 53.32 112.556 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -10.44 40.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 61.439999999999998 111.16 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.517 HD21 ' OG ' ' A' ' 57' ' ' SER . 7.6 tt -114.88 -49.91 2.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.84 -0.618 . . . . 71.340000000000003 111.336 -170.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.44 -125.04 8.38 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.901 -1.28 . . . . 71.329999999999998 109.901 -167.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -130.39 119.17 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.026 0.441 . . . . 52.439999999999998 110.603 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.517 ' OG ' HD21 ' A' ' 54' ' ' LEU . 35.5 m -123.31 163.49 20.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.099 0.476 . . . . 65.519999999999996 110.913 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.2 mm -109.07 100.86 11.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.458 -0.792 . . . . 62.210000000000001 109.061 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.494 ' HB ' HD13 ' A' ' 49' ' ' ILE . 10.2 t -87.65 143.0 27.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 42.140000000000001 109.8 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 45' ' ' GLU . 35.9 m -121.51 174.09 6.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 115.822 -0.626 . . . . 73.430000000000007 109.98 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -68.3 170.31 8.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 61.350000000000001 110.962 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 18.9 mp0 -54.92 -55.63 36.64 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.027 -0.533 . . . . 73.319999999999993 112.261 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 53.7 Cg_endo -70.69 -17.2 33.53 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.815 1.677 . . . . 74.329999999999998 112.733 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.692 ' HB3' HD11 ' A' ' 44' ' ' ILE . 9.1 m-20 -90.01 -11.33 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.488 -0.324 . . . . 73.230000000000004 111.23 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -57.94 -46.16 85.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.426 -0.352 . . . . 73.109999999999999 111.473 -174.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -66.19 -29.39 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.878 0.371 . . . . 44.409999999999997 111.236 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.76 57.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 52.229999999999997 110.444 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.38 -46.9 66.42 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.096 -0.502 . . . . 74.120000000000005 111.157 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.61 -39.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 73.510000000000005 111.154 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.65 -42.69 91.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.231 -0.441 . . . . 74.319999999999993 110.476 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.93 -47.12 78.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 64.25 110.527 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.668 HD12 HG13 ' A' ' 35' ' ' VAL . 30.1 mm -69.5 -28.68 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.049999999999997 110.936 -176.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.89 -28.41 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 72.340000000000003 110.612 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.4 m -71.61 -22.97 61.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.476 . . . . 74.510000000000005 110.881 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.4 t80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 72.219999999999999 110.993 -176.342 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 121.274 0.559 . . . . 75.450000000000003 110.754 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -152.75 114.76 4.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.819 -1.178 . . . . 72.230000000000004 107.819 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.18 104.34 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.965 0.888 . . . . 61.130000000000003 110.955 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.43 -53.68 7.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.427 -1.261 . . . . 62.549999999999997 110.754 -177.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 35' ' ' VAL . 78.1 mt -93.18 -177.59 4.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.635 -0.711 . . . . 73.439999999999998 109.765 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -168.54 117.12 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.431 0.457 . . . . 63.210000000000001 110.324 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.06 9.6 56.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.573 -0.823 . . . . 72.329999999999998 113.31 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 24' ' ' LEU . 6.9 mp -106.28 148.83 27.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.692 0.246 . . . . 74.120000000000005 110.46 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.81 176.5 5.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.329 -0.619 . . . . 75.299999999999997 109.329 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -65.65 -35.12 79.88 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 122.46 0.304 . . . . 71.450000000000003 111.549 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -57.04 -43.23 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.530000000000001 111.667 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -86.58 -25.12 25.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.963 0.411 . . . . 74.430000000000007 110.588 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -20.08 65.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 60.43 110.601 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.97 -41.35 87.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 73.450000000000003 110.334 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.54 -38.8 85.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.262 0.553 . . . . 72.150000000000006 110.701 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 38' ' ' VAL . 80.8 t -72.37 -51.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.064 -0.971 . . . . 72.040000000000006 111.336 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 tt -70.62 -20.75 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.674 -0.41 . . . . 75.140000000000001 111.095 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.26 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.44 -0.346 . . . . 74.540000000000006 110.845 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.7 p -70.4 -30.23 42.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 64.310000000000002 110.476 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 58' ' ' ILE . 10.3 mp -70.23 -50.47 39.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 74.129999999999995 110.781 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.43 -36.1 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.054 -0.521 . . . . 75.25 110.807 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.88 -40.02 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 62.509999999999998 111.157 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -84.63 -2.22 57.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 74.430000000000007 111.12 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.6 t30 61.76 55.09 2.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.424 0.631 . . . . 72.010000000000005 110.997 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 39' ' ' LEU . 15.8 tt -103.73 149.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.917 -0.583 . . . . 72.219999999999999 109.608 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.04 101.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 71.409999999999997 109.644 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.77 141.91 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.815 -0.629 . . . . 55.140000000000001 110.8 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.556 ' HB3' HG23 ' A' ' 59' ' ' THR . 13.0 t-20 -126.56 154.91 43.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.613 . . . . 64.049999999999997 109.583 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -97.47 123.08 41.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.691 0.281 . . . . 60.409999999999997 111.205 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.63 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.0 pt -116.46 114.06 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 72.030000000000001 111.479 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -109.8 133.47 53.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 73.219999999999999 109.83 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -158.15 153.46 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.323 -0.251 . . . . 65.530000000000001 110.323 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.94 98.64 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.129 -0.558 . . . . 61.340000000000003 112.9 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -65.47 -25.1 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 73.239999999999995 110.716 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 57' ' ' SER . 34.4 tp -102.15 -49.14 4.0 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.727 0.639 . . . . 71.349999999999994 112.727 -165.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.68 -108.9 3.61 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.201 -1.159 . . . . 63.539999999999999 110.201 -170.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -128.54 126.45 40.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.83 0.347 . . . . 53.119999999999997 110.604 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.702 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.9 m -149.81 170.33 19.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 110.629 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.538 HG21 HD22 ' A' ' 39' ' ' LEU . 5.8 mm -112.21 141.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.441 -0.577 . . . . 75.519999999999996 109.441 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.63 ' HB ' HD13 ' A' ' 49' ' ' ILE . 14.8 t -126.74 156.99 40.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.098 -0.334 . . . . 74.310000000000002 110.098 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.2 m -141.61 173.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.401 -0.592 . . . . 65.409999999999997 109.401 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.33 138.31 32.98 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.669 -0.493 . . . . 75.239999999999995 109.669 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.5 tt0 -58.14 -47.21 99.25 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.502 0.556 . . . . 75.329999999999998 112.502 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 31.9 Cg_exo -61.88 -14.04 34.43 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.1 1.867 . . . . 72.310000000000002 112.841 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.21 3.5 25.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.813 0.34 . . . . 73.349999999999994 110.795 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.5 -30.71 71.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 75.319999999999993 110.235 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -62.6 -28.66 70.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 64.409999999999997 110.977 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.98 62.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.489 -0.323 . . . . 65.049999999999997 110.264 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.58 -41.81 70.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.925 -0.579 . . . . 73.010000000000005 110.61 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.75 -42.72 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.66 . . . . 73.530000000000001 110.944 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -61.27 -42.03 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 61.310000000000002 111.034 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -64.21 -48.34 76.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 73.219999999999999 110.62 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 68' ' ' ALA . 25.6 mm -71.35 -23.98 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 111.402 -174.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -61.41 -20.68 63.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.063 0.458 . . . . 74.120000000000005 110.615 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -72.47 -19.69 61.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 73.209999999999994 110.85 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.3 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.461 . . . . 64.439999999999998 110.603 -176.852 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.553 0.216 . . . . 63.329999999999998 111.275 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -122.88 110.63 15.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.297 0.57 . . . . 72.329999999999998 110.643 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 4.9 mmmp? -136.4 146.78 46.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.346 0.593 . . . . 63.32 111.039 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.63 109.1 4.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 73.310000000000002 110.54 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -93.77 -27.61 16.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 72.310000000000002 109.512 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD11 HG21 ' A' ' 35' ' ' VAL . 57.0 mt -138.12 172.14 13.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.413 -0.812 . . . . 72.140000000000001 109.52 -176.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -137.73 114.61 10.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.735 0.302 . . . . 74.430000000000007 110.518 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.29 28.53 73.67 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 116.051 -0.522 . . . . 50.43 113.836 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 24' ' ' LEU . 8.9 mp -92.8 111.78 23.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.587 0.693 . . . . 75.120000000000005 109.479 173.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.33 178.0 4.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.473 -0.33 . . . . 74.340000000000003 110.424 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.77 -36.21 74.02 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.103 0.408 . . . . 75.040000000000006 112.103 -170.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -65.36 -37.4 86.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 74.129999999999995 110.856 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -83.97 -34.75 24.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 72.420000000000002 110.568 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -20.13 65.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.867 -0.606 . . . . 63.43 110.964 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' HG22 ' A' ' 36' ' ' ILE . 61.9 t30 -60.52 -31.64 70.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.138 -0.483 . . . . 71.349999999999994 110.351 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -62.69 -47.91 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.367 0.603 . . . . 71.540000000000006 110.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 24' ' ' LEU . 84.5 t -73.44 -45.05 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 54.219999999999999 111.492 -174.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 33' ' ' ASN . 9.9 tp -62.78 -30.68 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 75.349999999999994 110.262 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.88 -51.22 58.02 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.282 -0.417 . . . . 53.350000000000001 111.497 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG13 HD22 ' A' ' 39' ' ' LEU . 14.9 p -63.46 -33.08 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.682 0.277 . . . . 74.439999999999998 110.892 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.532 HD22 HG13 ' A' ' 38' ' ' VAL . 4.3 mm? -70.83 -52.5 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 54.530000000000001 110.556 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.28 -34.08 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 72.329999999999998 111.131 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 tpt -56.88 -33.98 67.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.140000000000001 111.53 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -94.44 7.62 44.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.706 -0.225 . . . . 73.209999999999994 111.08 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 58.47 55.7 4.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.401 0.619 . . . . 65.209999999999994 111.07 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 64' ' ' ASP . 12.9 tt -120.61 151.33 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.469 -0.567 . . . . 71.150000000000006 109.469 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.57 98.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.388 0.43 . . . . 70.25 110.507 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.35 115.98 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.085 -0.507 . . . . 74.120000000000005 110.229 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -117.03 132.96 56.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.224 -0.444 . . . . 74.230000000000004 110.789 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -89.77 118.8 29.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 63.329999999999998 110.186 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.518 HD13 ' HB ' ' A' ' 59' ' ' THR . 26.2 pt -113.89 135.27 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 71.430000000000007 111.896 -175.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 5.3 p-10 -109.95 139.96 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 73.209999999999994 110.076 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 66.8 m -158.41 169.8 23.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.994 -0.373 . . . . 54.039999999999999 109.994 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.67 -49.58 23.47 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.045 -0.598 . . . . 72.530000000000001 113.697 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.247 0.546 . . . . 61.409999999999997 110.707 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 6.1 tt -105.95 -40.48 5.68 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.507 -0.77 . . . . 65.430000000000007 111.61 -170.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 81.26 -111.23 3.27 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.85 -0.9 . . . . 72.299999999999997 110.85 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 20.6 m-85 -119.68 131.53 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.926 0.393 . . . . 73.310000000000002 110.115 172.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.448 ' HB2' HD21 ' A' ' 54' ' ' LEU . 66.5 m -150.0 174.24 12.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.27 -0.423 . . . . 73.140000000000001 110.792 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.522 HD12 HD13 ' A' ' 36' ' ' ILE . 25.4 mm -116.94 124.72 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.768 -0.651 . . . . 70.030000000000001 109.903 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.518 ' HB ' HD13 ' A' ' 49' ' ' ILE . 5.5 t -114.86 162.19 17.23 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.957 -0.757 . . . . 63.149999999999999 108.957 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.43 174.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.626 -0.261 . . . . 72.230000000000004 110.552 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.82 137.44 12.51 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.581 0.551 . . . . 75.030000000000001 110.012 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.533 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 22.1 tt0 -55.0 -48.21 96.57 Favored Pre-proline 0 CA--C 1.545 0.759 0 N-CA-C 112.862 0.69 . . . . 74.409999999999997 112.862 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.0 Cg_exo -67.95 -22.08 42.61 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.957 1.772 . . . . 73.5 112.199 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 44' ' ' ILE . 13.2 m-20 -89.77 11.79 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 75.230000000000004 111.316 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -50.67 -41.73 55.89 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.959 -0.564 . . . . 63.43 111.592 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 2.4 t -61.1 -36.21 79.07 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 63.140000000000001 111.708 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.37 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.592 0.234 . . . . 60.149999999999999 111.026 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.31 -56.24 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 75.219999999999999 110.738 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG12 ' HE2' ' A' ' 73' ' ' LYS . 28.5 t -63.27 -32.33 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.622 -0.717 . . . . 74.519999999999996 110.662 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' THR . 7.1 t80 -65.7 -41.48 92.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 62.450000000000003 110.91 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 74' ' ' THR . 5.3 m95 -74.03 -23.39 59.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 72.010000000000005 111.218 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 68' ' ' ALA . 42.3 mm -82.43 -11.92 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.514 . . . . 75.409999999999997 110.641 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.543 ' HE2' HG12 ' A' ' 69' ' ' VAL . 74.7 mmtt -63.63 -25.23 68.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.215 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 71' ' ' TRP . 14.4 t -88.56 -2.25 58.49 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.971 0.415 . . . . 72.430000000000007 110.616 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -109.17 2.37 20.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.238 0.542 . . . . 70.510000000000005 110.315 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.878 -0.582 . . . . 73.439999999999998 110.062 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 111.739 0.274 . . . . 73.310000000000002 111.739 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -103.94 106.2 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.93 -0.308 . . . . 73.530000000000001 110.513 -177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HE3' ' OE2' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -119.69 126.43 51.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.095 0.474 . . . . 74.450000000000003 110.874 178.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.16 112.78 15.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 63.240000000000002 111.37 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.654 HD21 ' HB1' ' A' ' 68' ' ' ALA . 9.0 mp -111.65 -63.92 1.35 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.838 0.351 . . . . 52.43 111.931 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' A' ' 27' ' ' LEU . 58.9 mt -99.03 174.76 6.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 71.010000000000005 110.391 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -143.42 115.29 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 62.240000000000002 110.295 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.48 2.33 90.46 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.817 -0.706 . . . . 73.319999999999993 114.01 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 24' ' ' LEU . 7.7 mp -85.03 92.7 8.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.469 0.635 . . . . 65.430000000000007 110.438 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 18.2 t70 -63.22 167.38 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 64.329999999999998 110.033 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -53.0 -34.99 58.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.209 0.448 . . . . 64.109999999999999 112.209 -172.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.62 -34.49 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.641 0.258 . . . . 71.239999999999995 111.175 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -86.82 -38.1 17.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.358 0.599 . . . . 73.019999999999996 109.72 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.67 64.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.212 -0.904 . . . . 45.0 111.514 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -46.23 -45.41 16.98 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.665 0.603 . . . . 61.32 111.559 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.68 -41.81 95.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.195 0.521 . . . . 72.430000000000007 110.51 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 38' ' ' VAL . 58.4 t -65.95 -52.04 53.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.788 -0.642 . . . . 74.310000000000002 111.688 -177.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 tt -63.93 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.1 0.476 . . . . 65.230000000000004 110.887 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 54.530000000000001 111.614 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.9 p -71.3 -32.76 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.731 -0.388 . . . . 63.329999999999998 110.506 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.59 -50.63 64.39 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.725 -0.472 . . . . 72.439999999999998 109.725 175.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.83 -41.13 95.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 71.420000000000002 111.301 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -63.2 -38.48 91.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 62.109999999999999 111.184 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -87.34 7.4 29.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.613 -0.267 . . . . 71.549999999999997 111.287 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.9 t30 60.9 31.59 20.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.376 0.608 . . . . 64.230000000000004 111.384 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 tt -104.26 132.53 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.226 -0.657 . . . . 65.25 109.226 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.88 134.12 49.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.353 0.597 . . . . 65.109999999999999 111.627 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.94 148.99 50.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.127 -0.942 . . . . 31.309999999999999 110.08 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -128.72 172.36 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.278 -0.419 . . . . 71.150000000000006 110.485 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -101.81 132.55 47.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 43.119999999999997 110.714 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 59' ' ' THR . 3.0 pt -116.53 120.9 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.974 0.416 . . . . 74.120000000000005 111.453 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -103.06 128.91 49.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.76 -0.655 . . . . 63.399999999999999 110.244 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.512 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 42.5 m -151.97 153.49 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.512 -0.551 . . . . 63.030000000000001 109.512 176.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.81 -49.53 70.08 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.457 0.543 . . . . 51.350000000000001 114.457 -172.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -91.5 -11.0 38.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.695 0.748 . . . . 60.219999999999999 110.631 -178.032 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.512 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 36.8 tp -81.47 -48.56 11.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 33.109999999999999 110.822 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.17 -86.57 1.2 Allowed Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.536 -0.756 . . . . 40.420000000000002 111.602 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.608 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -139.78 127.53 21.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.665 0.269 . . . . 75.239999999999995 110.565 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.9 m -151.81 166.5 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.493 -0.322 . . . . 70.519999999999996 110.745 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.402 HG13 HG12 ' A' ' 35' ' ' VAL . 20.7 mm -99.35 127.75 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.009 -0.541 . . . . 73.430000000000007 109.751 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.484 HG21 HG23 ' A' ' 49' ' ' ILE . 13.3 t -114.28 158.99 20.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.916 0.389 . . . . 34.450000000000003 110.099 177.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 68' ' ' ALA . 26.8 m -137.18 175.79 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.732 -0.667 . . . . 75.430000000000007 109.555 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.0 147.17 0.52 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.8 0.688 . . . . 63.130000000000003 111.141 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 21.3 tp10 -50.46 -54.17 37.83 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.881 0.697 . . . . 72.409999999999997 112.881 -169.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -85.44 -4.28 9.31 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.424 2.083 . . . . 52.530000000000001 113.298 -176.165 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.81 24.68 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.884 0.373 . . . . 64.209999999999994 111.567 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' HB2' ' HG2' ' A' ' 21' ' ' LYS . 79.3 t80 -60.92 -36.43 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 61.240000000000002 110.25 176.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -59.27 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 64.120000000000005 110.777 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.0 78.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.895 -0.593 . . . . 62.200000000000003 110.69 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.654 ' HB1' HD21 ' A' ' 23' ' ' LEU . . . -55.53 -49.48 72.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.593 . . . . 65.319999999999993 111.271 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 65' ' ' PHE . 84.1 t -63.71 -36.14 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 63.43 111.226 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.3 -37.12 84.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.57 -0.286 . . . . 64.540000000000006 110.558 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.418 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.6 m95 -70.63 -29.49 65.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.019 0.438 . . . . 73.209999999999994 110.35 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -74.34 -31.0 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.189 0.519 . . . . 74.25 109.815 174.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.31 -35.8 81.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.239999999999995 110.4 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.3 p -75.63 -5.48 45.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.903 0.382 . . . . 74.099999999999994 111.605 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -96.45 4.8 51.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.055 0.455 . . . . 73.150000000000006 110.618 176.248 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.694 -0.67 . . . . 75.150000000000006 109.632 178.746 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.709 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 3.3 ttmp? . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.087 0.47 . . . . 61.450000000000003 110.064 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -161.39 27.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.409 -0.814 . . . . 73.439999999999998 110.271 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -75.44 120.69 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.957 -0.565 . . . . 63.229999999999997 110.102 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.527 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 15.4 p-10 -79.01 105.96 10.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.742 0.782 . . . . 62.109999999999999 110.912 -177.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 tp -79.75 -22.82 42.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.62 -1.173 . . . . 74.450000000000003 110.213 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 35' ' ' VAL . 46.7 mt -135.13 160.51 38.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.56 -0.904 . . . . 54.219999999999999 108.56 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HE2' ' OD2' ' A' ' 22' ' ' ASP . 86.4 mttt -136.54 116.7 13.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.583 -0.447 . . . . 72.230000000000004 111.455 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.64 3.9 87.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.668 -0.696 . . . . 72.239999999999995 112.863 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 24' ' ' LEU . 16.2 tp -77.84 135.74 37.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.302 -0.258 . . . . 65.239999999999995 110.302 -177.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.528 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 13.8 t70 -80.09 157.51 26.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.293 -0.412 . . . . 74.049999999999997 109.921 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.79 -32.53 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.539 -0.3 . . . . 72.439999999999998 111.28 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 11.6 pt-20 -67.19 -31.78 72.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.173 0.511 . . . . 71.230000000000004 110.699 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -86.69 -26.85 24.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 71.150000000000006 110.08 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.85 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.646 -0.706 . . . . 50.539999999999999 111.222 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' HA ' HG22 ' A' ' 36' ' ' ILE . 21.7 t-20 -59.23 -39.6 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.345 . . . . 74.319999999999993 110.677 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.51 -29.31 67.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.46 . . . . 73.329999999999998 110.498 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 24' ' ' LEU . 96.7 t -76.97 -50.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 71.310000000000002 110.708 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.9 tt -62.61 -22.6 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 71.430000000000007 110.505 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.03 79.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 51.039999999999999 111.541 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 35' ' ' VAL . 6.3 p -71.29 -29.21 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 121.032 0.444 . . . . 75.010000000000005 110.444 -177.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 36' ' ' ILE . 3.0 mm? -75.71 -48.42 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 74.040000000000006 110.035 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.49 -37.86 88.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 73.319999999999993 111.055 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.54 -34.98 76.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.258 -0.428 . . . . 42.219999999999999 111.07 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -92.06 3.12 55.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 72.040000000000006 111.193 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 60.05 38.39 20.62 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.147 -0.478 . . . . 70.349999999999994 111.845 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.0 tt -99.22 150.2 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.673 -0.492 . . . . 73.540000000000006 109.673 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.88 111.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 73.340000000000003 110.763 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.9 113.98 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.925 0.393 . . . . 64.219999999999999 110.605 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -106.92 149.81 27.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 110.361 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -97.63 137.29 36.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.686 0.279 . . . . 72.140000000000001 110.294 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.835 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -117.72 130.59 72.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.279 -0.419 . . . . 63.329999999999998 110.854 178.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.76 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 53.299999999999997 111.258 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 55.8 m -158.14 157.61 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.69 -0.485 . . . . 75.319999999999993 109.69 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.07 67.25 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.934 -0.651 . . . . 75.109999999999999 112.375 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -9.65 46.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.117 0.484 . . . . 71.010000000000005 111.079 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.639 HD11 HD12 ' A' ' 49' ' ' ILE . 9.8 tt -113.9 -51.87 2.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.705 -0.679 . . . . 65.140000000000001 111.713 -166.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -113.32 3.84 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.624 -0.99 . . . . 74.120000000000005 110.624 -173.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -128.01 120.42 27.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.865 0.364 . . . . 74.219999999999999 110.129 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.446 ' HA ' HD12 ' A' ' 24' ' ' LEU . 62.2 m -136.58 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.131 0.491 . . . . 72.049999999999997 111.044 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mm -109.19 109.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.078 -0.965 . . . . 71.140000000000001 109.606 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.835 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.0 t -99.16 142.25 30.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.219 0.533 . . . . 61.219999999999999 110.132 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.07 173.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.426 -0.806 . . . . 61.229999999999997 109.237 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . . . -56.99 144.09 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.275 0.36 . . . . 62.420000000000002 110.398 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 14.0 mp0 -53.69 -47.58 96.15 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.009 -0.541 . . . . 73.219999999999999 112.363 -176.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 16.7 Cg_endo -58.83 -39.81 78.14 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.934 1.756 . . . . 63.520000000000003 112.702 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.62 0.14 56.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.477 -0.329 . . . . 52.340000000000003 111.437 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.8 t80 -61.92 -31.53 71.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 110.658 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 5.4 t -59.84 -39.8 86.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 42.109999999999999 110.873 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.61 97.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.344 -0.389 . . . . 64.019999999999996 110.438 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.26 -39.46 82.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.942 -0.572 . . . . 62.049999999999997 110.636 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' PHE . 72.1 t -61.06 -44.07 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 72.109999999999999 110.62 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 66' ' ' THR . 53.9 m-85 -61.84 -41.08 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 74.040000000000006 111.052 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.402 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.6 m95 -62.25 -45.65 92.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.753 0.311 . . . . 75.400000000000006 110.703 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' ALA . 40.4 mm -68.55 -34.26 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 64.430000000000007 110.499 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 55.1 mmtt -64.98 -16.8 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 44.219999999999999 111.307 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m -90.01 -20.53 23.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.246 0.546 . . . . 71.040000000000006 110.299 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -88.86 -43.6 11.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.13 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.608 -0.71 . . . . 75.409999999999997 109.807 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.5 mttt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 108.857 -0.794 . . . . 73.420000000000002 108.857 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -168.46 25.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.64 -0.709 . . . . 72.340000000000003 111.19 -165.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.2 117.09 29.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.987 0.422 . . . . 72.099999999999994 111.568 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.86 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 1.8 m-20 -60.86 105.83 0.51 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.466 -0.788 . . . . 74.030000000000001 110.676 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -90.23 -62.45 1.46 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.331 0.586 . . . . 61.32 109.878 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 HD22 ' A' ' 27' ' ' LEU . 34.8 mt -112.16 138.55 48.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.532 -0.758 . . . . 73.409999999999997 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.86 ' HD2' ' HB3' ' A' ' 22' ' ' ASP . 3.7 mppt? -124.83 116.89 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.647 0.26 . . . . 63.539999999999999 110.862 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.92 8.42 51.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.845 -0.693 . . . . 65.519999999999996 112.895 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.524 HD22 HD13 ' A' ' 24' ' ' LEU . 7.5 mp -102.36 131.06 49.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 74.299999999999997 111.0 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -82.53 170.99 14.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.111 -0.7 . . . . 44.420000000000002 109.111 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.986 0.365 . . . . 74.450000000000003 111.986 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.823 0.344 . . . . 63.229999999999997 111.121 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -86.12 -41.23 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 70.099999999999994 109.721 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.98 -18.46 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.459 -0.791 . . . . 71.209999999999994 110.713 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' HG22 ' A' ' 36' ' ' ILE . 24.4 t-20 -51.65 -39.02 57.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.783 -0.644 . . . . 74.129999999999995 110.877 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.48 -35.79 70.65 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.628 -0.715 . . . . 73.340000000000003 111.005 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.452 HG11 HD11 ' A' ' 24' ' ' LEU . 88.1 t -87.64 -49.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.387 -0.824 . . . . 61.310000000000002 111.511 -174.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 33' ' ' ASN . 13.5 tt -57.36 -33.62 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.803 0.335 . . . . 74.25 111.389 -175.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.16 81.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 63.140000000000001 110.775 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -62.82 -46.8 95.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.76 -0.655 . . . . 63.5 111.098 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.3 mm? -63.71 -47.85 79.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.09 -0.505 . . . . 72.200000000000003 110.702 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 45.8 mt-30 -63.98 -32.13 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 54.240000000000002 110.556 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -64.55 -29.96 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 72.400000000000006 111.128 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -97.48 6.13 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.352 -0.385 . . . . 74.010000000000005 111.313 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t30 54.2 43.18 30.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.639 -0.71 . . . . 70.310000000000002 110.759 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.441 HG21 HD12 ' A' ' 39' ' ' LEU . 12.5 tt -102.96 138.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.798 -0.816 . . . . 65.129999999999995 108.798 174.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.27 109.0 2.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.056 -0.52 . . . . 60.229999999999997 111.495 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB1' HG23 ' A' ' 58' ' ' ILE . . . -104.52 131.01 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.863 -0.608 . . . . 70.439999999999998 110.917 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.563 ' HB2' HG23 ' A' ' 59' ' ' THR . 41.4 m-80 -111.51 154.61 24.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 43.210000000000001 109.577 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -100.9 113.88 27.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.816 0.341 . . . . 60.119999999999997 110.789 -172.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.65 HD13 ' HB ' ' A' ' 59' ' ' THR . 11.4 pt -115.59 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 74.329999999999998 111.052 177.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.64 141.45 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 74.230000000000004 110.348 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.436 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 70.2 m -162.22 165.35 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.995 -0.372 . . . . 72.430000000000007 109.995 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.37 -43.06 71.82 Favored Glycine 0 C--O 1.23 -0.139 0 C-N-CA 120.729 -0.748 . . . . 75.200000000000003 111.851 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -70.31 -15.04 62.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.14 0.495 . . . . 64.230000000000004 111.369 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 28.7 tp -113.93 -47.19 2.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.817 -0.628 . . . . 75.010000000000005 112.102 -164.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.76 -122.57 6.58 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.854 -1.298 . . . . 73.120000000000005 109.854 -169.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.03 118.36 26.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.236 -0.653 . . . . 73.310000000000002 109.236 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.64 164.2 18.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 72.400000000000006 111.594 -172.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 39' ' ' LEU . 37.6 mm -106.93 103.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.416 -0.811 . . . . 74.430000000000007 109.868 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.65 ' HB ' HD13 ' A' ' 49' ' ' ILE . 13.2 t -99.2 134.07 42.59 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.231 -0.655 . . . . 75.420000000000002 109.231 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -113.76 175.86 2.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.496 -0.557 . . . . 75.409999999999997 109.496 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 64' ' ' ASP . . . -44.39 137.89 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.739 0.649 . . . . 72.219999999999999 110.664 176.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.573 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.9 tp10 -52.17 -52.6 60.85 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.534 0.568 . . . . 74.150000000000006 112.534 -170.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 11.8 Cg_exo -72.46 -19.34 25.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.958 1.772 . . . . 64.239999999999995 112.163 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . 14.0 m-20 -90.48 2.14 56.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 71.209999999999994 111.209 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -60.65 -27.92 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.413 . . . . 70.209999999999994 110.129 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.411 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 3.8 t -56.05 -41.32 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.633 -0.712 . . . . 74.209999999999994 110.875 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.3 69.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 63.310000000000002 110.825 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.46 -46.16 66.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.879 -0.6 . . . . 73.150000000000006 111.386 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.25 -42.29 86.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.212 -0.449 . . . . 75.510000000000005 111.39 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.411 ' HD2' ' O ' ' A' ' 66' ' ' THR . 60.7 m-85 -77.19 -22.34 52.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.33 -0.395 . . . . 75.510000000000005 112.035 -176.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.439 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 1.6 m95 -70.59 -33.53 71.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.694 -0.484 . . . . 74.019999999999996 109.694 174.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 68' ' ' ALA . 26.2 mm -67.87 -25.35 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.357 0.598 . . . . 55.210000000000001 109.827 176.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 70' ' ' TYR . 74.0 mmtt -65.53 -16.7 63.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.587 -0.733 . . . . 75.5 111.32 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -89.76 -4.3 57.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.507 . . . . 74.420000000000002 110.593 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -90.36 88.11 7.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.279 0.562 . . . . 65.109999999999999 109.702 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 C--O 1.253 1.248 0 CA-C-N 115.626 -0.715 . . . . 73.109999999999999 110.455 -177.13 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mttp . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.993 0.425 . . . . 75.099999999999994 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.43 60.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.428 0.632 . . . . 72.329999999999998 110.27 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.78 123.62 38.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.336 -0.616 . . . . 74.340000000000003 109.336 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -74.67 104.46 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.599 -0.519 . . . . 72.219999999999999 109.599 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -96.4 -31.49 12.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.033 -0.531 . . . . 74.209999999999994 110.395 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 35' ' ' VAL . 47.3 mt -128.0 162.38 26.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.53 -0.915 . . . . 51.0 108.53 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -135.43 115.79 13.54 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.704 -0.398 . . . . 71.340000000000003 111.412 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.09 10.03 86.52 Favored Glycine 0 CA--C 1.52 0.369 0 CA-C-N 115.97 -0.559 . . . . 73.239999999999995 114.188 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD22 HD13 ' A' ' 24' ' ' LEU . 9.5 mp -78.45 155.75 29.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.412 0.625 . . . . 71.299999999999997 111.813 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -98.63 170.62 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.237 -0.892 . . . . 63.130000000000003 110.538 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -46.16 71.16 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.559 0.743 . . . . 73.430000000000007 112.04 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.66 -29.87 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.317 . . . . 72.120000000000005 111.267 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.43 -41.09 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.368 0.604 . . . . 75.439999999999998 109.756 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.64 -20.67 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.504 -0.771 . . . . 64.209999999999994 110.801 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -60.61 -43.98 96.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 74.430000000000007 110.392 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.51 -40.96 93.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 62.509999999999998 110.286 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 24' ' ' LEU . 45.9 t -65.37 -49.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 72.340000000000003 111.254 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.3 tt -63.25 -29.32 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.703 -0.226 . . . . 74.430000000000007 110.808 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.013 0.435 . . . . 42.329999999999998 110.135 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.01 -43.48 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 75.129999999999995 110.48 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.74 -45.96 73.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 54.450000000000003 110.577 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.77 -41.58 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 63.119999999999997 111.595 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ptp -70.74 -13.49 62.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 71.120000000000005 110.667 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -97.24 1.2 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.452 -0.34 . . . . 75.239999999999995 110.124 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 61.15 28.19 17.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 73.209999999999994 111.947 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.5 tt -97.19 149.42 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 74.040000000000006 110.224 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.38 104.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 71.129999999999995 110.47 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.51 129.01 56.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 51.210000000000001 110.925 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -116.92 151.17 37.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 64.420000000000002 109.743 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.29 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.395 -0.366 . . . . 73.049999999999997 110.202 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 pt -96.87 116.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.347 0.594 . . . . 64.129999999999995 111.026 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.99 104.51 13.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.236 -0.893 . . . . 71.120000000000005 109.743 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -142.84 142.99 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 73.230000000000004 110.379 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.03 -29.72 75.24 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.3 -0.476 . . . . 44.43 113.152 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 54' ' ' LEU . 44.3 pttt -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 74.409999999999997 111.499 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 16.1 tp -113.63 -30.92 6.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 53.009999999999998 112.113 -165.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.93 -117.51 5.61 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.541 -0.838 . . . . 74.030000000000001 111.074 -175.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -122.89 121.6 36.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 72.439999999999998 110.049 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 24' ' ' LEU . 51.1 m -149.47 166.67 28.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.01 0.433 . . . . 73.25 111.056 -178.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.2 mm -99.41 152.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.67 . . . . 72.209999999999994 109.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 t -145.16 162.62 36.63 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.005 -0.739 . . . . 60.200000000000003 109.005 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 m -125.98 173.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.604 0.24 . . . . 51.240000000000002 110.542 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 169.19 6.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.031 -0.532 . . . . 62.420000000000002 110.573 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 1.5 mp0 -57.01 -54.07 58.48 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 112.447 0.536 . . . . 74.319999999999993 112.447 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 7.9 Cg_exo -73.05 -21.43 20.64 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.313 2.009 . . . . 70.439999999999998 112.79 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 44' ' ' ILE . 3.6 m-20 -90.2 7.06 40.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.114 -0.494 . . . . 71.5 111.457 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.08 -39.62 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 73.150000000000006 111.947 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -68.4 -24.96 64.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.378 -0.374 . . . . 54.439999999999998 111.754 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -38.46 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.323 -0.235 . . . . 74.209999999999994 111.123 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.01 -40.57 67.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.95 -0.568 . . . . 70.319999999999993 111.823 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.02 -49.1 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 50.100000000000001 111.459 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.18 -27.96 63.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.383 -0.371 . . . . 74.209999999999994 111.821 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.44 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 2.4 m95 -73.24 -35.75 66.31 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.604 -0.438 . . . . 73.120000000000005 110.252 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.3 mm -73.01 -33.61 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 53.539999999999999 110.009 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -59.75 -24.42 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.789 -0.641 . . . . 70.329999999999998 110.424 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -93.53 -9.28 38.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.979 -0.555 . . . . 72.219999999999999 111.002 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -77.8 -44.94 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.431 -0.349 . . . . 75.239999999999995 110.595 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.688 -0.672 . . . . 72.140000000000001 109.695 179.261 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.078 -0.712 . . . . 65.540000000000006 109.078 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' HG21 ' A' ' 49' ' ' ILE . 16.9 m-20 69.86 30.34 3.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.272 0.558 . . . . 61.310000000000002 110.683 174.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.39 131.05 38.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.646 -0.706 . . . . 70.109999999999999 109.677 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.98 105.28 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.381 -0.6 . . . . 60.030000000000001 109.381 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 tp -94.64 -39.31 10.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 75.5 110.983 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.591 HD11 HG11 ' A' ' 35' ' ' VAL . 82.6 mt -121.16 161.78 21.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.526 -0.546 . . . . 73.219999999999999 109.526 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -124.82 115.95 21.49 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.886 -0.326 . . . . 71.340000000000003 110.959 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.63 46.88 80.62 Favored Glycine 0 C--N 1.33 0.227 0 O-C-N 123.82 0.7 . . . . 41.32 113.73 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 33.6 tp -113.22 128.04 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.911 -0.404 . . . . 72.439999999999998 109.911 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -78.74 157.84 28.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.689 0.281 . . . . 71.319999999999993 110.557 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.621 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 52.9 tt0 -60.73 -30.32 69.91 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 74.319999999999993 112.224 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.8 -42.02 88.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.896 0.379 . . . . 74.230000000000004 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -87.11 -27.29 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.09 0.472 . . . . 63.219999999999999 110.634 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -65.69 -19.81 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.977 -0.556 . . . . 62.299999999999997 110.928 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.27 -38.69 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 72.329999999999998 110.78 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -72.5 -22.39 61.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 72.450000000000003 110.652 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.2 t -88.92 -51.56 12.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.71 -0.677 . . . . 72.310000000000002 110.884 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.11 -26.15 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 72.329999999999998 111.335 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.25 85.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 44.43 111.526 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.5 p -73.05 -20.01 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.941 0.4 . . . . 51.210000000000001 110.862 -176.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.1 mm? -83.29 -58.66 2.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 63.030000000000001 110.156 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.75 -43.62 98.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.669 -0.696 . . . . 63.549999999999997 112.004 -172.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.26 -26.85 68.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 73.299999999999997 111.486 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -96.77 6.57 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.835 0.35 . . . . 74.019999999999996 110.675 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 62.25 27.27 16.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.589 -0.732 . . . . 32.039999999999999 112.522 172.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.2 tt -84.68 151.93 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 64.219999999999999 108.738 172.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.0 tp10 -54.26 100.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.846 0.355 . . . . 74.239999999999995 110.488 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -111.7 114.02 26.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 110.619 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.625 ' HB3' HG23 ' A' ' 59' ' ' THR . 15.2 t-20 -123.7 155.61 37.51 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.236 -0.654 . . . . 71.140000000000001 109.236 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -111.69 111.65 22.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 73.120000000000005 110.633 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 59' ' ' THR . 8.3 pt -99.0 130.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 64.109999999999999 111.365 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.39 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.659 -0.7 . . . . 64.340000000000003 109.166 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.475 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.6 m -148.87 151.96 35.62 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.223 -0.288 . . . . 72.5 110.223 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.15 99.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.138 -0.553 . . . . 72.019999999999996 112.965 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -82.66 -11.74 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 75.0 111.087 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 15.0 tp -113.98 -50.2 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.262 -0.426 . . . . 75.439999999999998 112.052 -166.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.1 -105.38 3.27 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.827 -0.701 . . . . 44.399999999999999 111.774 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.568 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 73.5 m-85 -116.89 122.85 45.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.739 0.304 . . . . 74.409999999999997 110.594 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.5 m -150.08 160.24 43.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.99 0.424 . . . . 73.120000000000005 110.959 174.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.465 HG21 ' HG ' ' A' ' 39' ' ' LEU . 24.3 mm -102.16 130.31 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.592 -0.731 . . . . 54.32 109.343 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.625 HG23 ' HB3' ' A' ' 47' ' ' ASN . 11.1 t -116.92 143.49 45.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.071 0.462 . . . . 54.329999999999998 109.859 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 33.8 m -114.26 173.09 3.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.423 -0.808 . . . . 54.329999999999998 109.187 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -60.5 152.38 26.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.748 -0.464 . . . . 71.200000000000003 109.748 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.3 tt0 -52.8 -51.45 73.94 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 74.129999999999995 112.771 -173.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 12.9 Cg_exo -70.66 -13.56 32.52 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 75.200000000000003 112.786 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 61' ' ' ALA . 32.7 m-20 -97.13 2.41 51.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 73.230000000000004 111.346 -175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.63 -34.41 74.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.383 . . . . 72.230000000000004 110.943 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -58.68 -32.84 69.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.883 -0.599 . . . . 74.299999999999997 111.425 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.31 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.318 . . . . 51.329999999999998 110.56 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.572 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.02 -50.06 69.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 55.299999999999997 111.003 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 57.7 t -61.32 -38.2 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 55.539999999999999 110.665 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.58 -38.82 92.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 71.439999999999998 110.615 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.2 m95 -69.54 -37.54 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.319999999999993 110.902 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 68' ' ' ALA . 36.3 mm -65.76 -28.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 53.210000000000001 110.045 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 71.1 mmtt -70.99 -17.17 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 62.299999999999997 111.199 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 m -86.23 -8.89 57.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.229 0.538 . . . . 73.150000000000006 110.477 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -71.82 138.42 48.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 74.530000000000001 109.765 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.563 -0.732 . . . . 71.430000000000007 110.87 -176.147 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 5.9 tppt? . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.646 -0.501 . . . . 75.140000000000001 109.646 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.21 34.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.385 0.513 . . . . 75.519999999999996 112.385 -168.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.764 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -85.5 116.17 23.65 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.547 -0.461 . . . . 72.230000000000004 110.193 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -69.89 124.83 25.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.119 -0.491 . . . . 71.439999999999998 110.844 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 58' ' ' ILE . 45.2 tp -106.5 -23.34 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 51.240000000000002 110.294 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.755 HD11 HG11 ' A' ' 35' ' ' VAL . 44.3 mt -140.08 160.42 39.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 74.340000000000003 110.009 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -129.24 115.68 18.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.708 0.289 . . . . 62.299999999999997 110.892 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.28 51.72 52.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.121 -0.561 . . . . 64.349999999999994 113.549 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 24' ' ' LEU . 8.6 mp -109.85 149.85 29.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.941 0.4 . . . . 70.099999999999994 110.187 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.14 172.8 7.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.962 -0.563 . . . . 73.540000000000006 110.038 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -58.87 -39.47 81.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.386 -0.37 . . . . 63.539999999999999 111.324 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.7 -30.9 71.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 63.130000000000003 111.076 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -78.24 -42.69 30.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 71.329999999999998 109.972 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.47 -20.1 66.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 43.0 111.398 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.48 -44.74 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 70.25 110.993 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -74.62 -33.32 62.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.205 0.526 . . . . 54.509999999999998 110.223 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.755 HG11 HD11 ' A' ' 24' ' ' LEU . 76.3 t -66.55 -50.71 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.544 -0.753 . . . . 71.319999999999993 111.459 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 tt -67.28 -23.8 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.963 0.411 . . . . 71.209999999999994 110.649 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.65 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 74.319999999999993 111.516 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.6 p -71.28 -29.63 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.79 0.329 . . . . 74.319999999999993 110.824 -177.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 38' ' ' VAL . 3.4 mm? -71.31 -51.75 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 60.130000000000003 110.048 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.73 -31.22 72.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 74.439999999999998 110.616 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.2 ttt -58.81 -34.82 71.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.574 . . . . 74.329999999999998 110.887 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -96.55 16.69 18.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.441 . . . . 71.230000000000004 111.303 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 m120 62.89 19.33 11.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.913 0.709 . . . . 75.540000000000006 112.913 171.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.7 tt -97.67 129.57 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.524 -0.547 . . . . 72.420000000000002 109.524 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 2.2 pm0 -66.76 122.6 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 71.430000000000007 111.339 -176.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.58 128.99 55.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.119 -0.946 . . . . 41.340000000000003 110.512 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.9 m120 -107.27 175.94 5.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.74 -0.664 . . . . 71.439999999999998 110.165 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -111.04 121.44 45.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.117 -0.492 . . . . 71.219999999999999 111.148 -173.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 59' ' ' THR . 3.7 pt -109.19 106.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.093 0.473 . . . . 74.200000000000003 109.841 170.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.44 142.35 40.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.63 -0.714 . . . . 73.400000000000006 110.532 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 50.7 m -154.69 159.67 40.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 51.109999999999999 109.746 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.44 97.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.115 -0.564 . . . . 62.420000000000002 112.818 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 5.1 tptm -90.05 -39.44 12.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.657 0.265 . . . . 53.520000000000003 111.089 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 17.9 tp -70.41 -32.44 70.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.43 -0.35 . . . . 74.340000000000003 111.268 -174.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.36 -129.12 9.13 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.734 -0.745 . . . . 75.129999999999995 111.591 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.72 119.36 38.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.896 0.379 . . . . 64.409999999999997 110.058 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 24' ' ' LEU . 60.5 m -136.88 158.85 43.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.377 -0.374 . . . . 75.409999999999997 110.343 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' HD23 ' A' ' 23' ' ' LEU . 42.4 mm -101.38 126.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.596 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.464 ' CG2' HG23 ' A' ' 49' ' ' ILE . 10.3 t -113.08 136.54 52.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.741 -0.837 . . . . 64.209999999999994 108.741 170.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 68' ' ' ALA . 34.7 m -113.47 175.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 109.159 -0.682 . . . . 74.340000000000003 109.159 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.99 114.22 0.58 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.918 -0.771 . . . . 52.32 108.918 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.44 -44.21 98.62 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.021 0.748 . . . . 64.420000000000002 113.021 -168.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.77 -17.71 56.5 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.914 1.743 . . . . 74.439999999999998 112.844 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.3 16.91 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.429 -0.351 . . . . 64.109999999999999 110.97 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -59.71 -27.7 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.047 0.451 . . . . 73.319999999999993 110.669 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -55.59 -37.68 68.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.738 -0.665 . . . . 74.439999999999998 111.115 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.71 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.373 -0.376 . . . . 72.409999999999997 110.429 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.65 -50.49 65.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.993 -0.549 . . . . 44.210000000000001 110.814 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.62 -42.37 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.821 -0.627 . . . . 74.349999999999994 110.896 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -66.11 -40.04 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 75.329999999999998 111.156 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.4 m95 -69.27 -44.18 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.955 -0.298 . . . . 64.239999999999995 110.647 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.52 ' CD1' HG13 ' A' ' 35' ' ' VAL . 41.9 mm -68.98 -27.69 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.099999999999994 110.943 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 12.7 tppt? -64.83 -22.85 67.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.262 0.553 . . . . 71.340000000000003 110.162 177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 m -90.55 -9.02 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.551 -0.75 . . . . 72.150000000000006 110.673 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -77.53 91.12 3.92 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.571 -0.529 . . . . 74.010000000000005 109.571 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.06 -0.971 . . . . 75.420000000000002 109.628 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.624 ' HD3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.802 0.334 . . . . 64.109999999999999 110.622 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -130.64 22.79 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.0 0.429 . . . . 74.129999999999995 111.203 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -79.38 123.0 27.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.221 -0.445 . . . . 72.409999999999997 109.868 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 5.1 p-10 -77.57 124.56 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.442 0.639 . . . . 73.129999999999995 110.551 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -95.37 -24.0 16.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.32 -0.854 . . . . 73.540000000000006 110.845 -176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.582 HD13 HD22 ' A' ' 27' ' ' LEU . 50.7 mt -127.69 167.78 15.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 73.329999999999998 110.035 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.634 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.3 mmpt? -118.28 115.44 24.72 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 122.91 0.131 . . . . 64.0 111.327 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.472 ' H ' HD12 ' A' ' 54' ' ' LEU . . . 49.32 66.51 2.18 Favored Glycine 0 C--N 1.335 0.514 0 O-C-N 123.615 0.572 . . . . 44.340000000000003 114.52 172.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' ' 24' ' ' LEU . 3.8 mp -113.38 139.43 48.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.959 0.409 . . . . 71.040000000000006 111.305 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 17.6 t70 -78.97 165.13 23.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.804 -0.635 . . . . 71.439999999999998 109.436 174.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -56.92 -38.33 72.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.626 -0.261 . . . . 75.510000000000005 111.548 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 6.8 pt-20 -67.36 -37.8 83.77 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.959 -0.296 . . . . 75.420000000000002 111.1 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.79 -37.47 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.996 0.427 . . . . 64.420000000000002 110.549 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.94 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 53.439999999999998 111.082 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.563 ' HA ' HG22 ' A' ' 36' ' ' ILE . 27.8 t-20 -60.26 -35.99 76.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.147 -0.478 . . . . 65.329999999999998 110.608 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.6 -37.99 85.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 63.130000000000003 110.716 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 24' ' ' LEU . 88.9 t -81.78 -46.32 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.63 . . . . 75.310000000000002 111.348 -176.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.563 HG22 ' HA ' ' A' ' 33' ' ' ASN . 16.0 tt -62.49 -29.29 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.717 0.294 . . . . 61.310000000000002 110.912 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.26 98.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.198 -0.455 . . . . 64.349999999999994 110.154 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' CE1' ' A' ' 42' ' ' HIS . 4.7 t -61.73 -48.54 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.559 . . . . 50.310000000000002 110.945 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' HG21 ' A' ' 58' ' ' ILE . 4.4 mm? -55.48 -52.78 62.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.593 0.235 . . . . 71.510000000000005 110.955 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' OE1' ' HA ' ' A' ' 40' ' ' GLN . 13.3 mm-40 -68.48 -30.08 68.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.715 0.265 . . . . 64.329999999999998 111.715 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.9 tpt -69.76 -19.8 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 62.009999999999998 110.529 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.427 ' CE1' HG13 ' A' ' 38' ' ' VAL . 64.4 m80 -98.29 7.04 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 74.400000000000006 110.505 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 59.83 31.26 20.68 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.637 -0.71 . . . . 71.200000000000003 112.097 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.74 144.95 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.989 -0.374 . . . . 72.049999999999997 109.989 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.77 132.68 53.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.009 -0.541 . . . . 73.340000000000003 111.042 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -124.86 114.74 19.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.535 -0.757 . . . . 74.310000000000002 109.631 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -104.96 154.9 19.49 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.583 -0.525 . . . . 73.420000000000002 109.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -95.96 144.28 26.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.875 0.369 . . . . 72.510000000000005 110.396 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 22' ' ' ASP . 1.2 pt -120.2 89.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 44.109999999999999 109.828 171.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -83.48 117.17 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.543 -0.753 . . . . 73.150000000000006 110.53 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -154.2 140.24 18.34 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.393 -0.822 . . . . 60.439999999999998 109.852 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.82 80.21 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 121.106 -0.568 . . . . 65.349999999999994 112.398 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -63.49 -26.81 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.595 0.358 . . . . 74.040000000000006 111.856 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 57' ' ' SER . 43.9 tp -114.68 -52.39 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 53.229999999999997 112.492 -169.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.9 -115.15 4.57 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.604 -0.998 . . . . 61.210000000000001 110.604 -171.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.06 122.08 31.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.075 0.464 . . . . 74.400000000000006 110.822 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.549 ' HB2' HD21 ' A' ' 54' ' ' LEU . 68.0 m -149.71 170.77 17.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 62.43 110.369 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -95.49 143.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.206 -0.452 . . . . 53.43 110.635 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.462 HG21 HG23 ' A' ' 49' ' ' ILE . 5.3 t -135.91 163.13 30.97 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.794 -0.817 . . . . 74.010000000000005 108.794 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.51 172.91 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.77 0.319 . . . . 73.040000000000006 110.773 -176.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.624 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . . . -68.86 160.48 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 71.310000000000002 110.108 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 23.6 mp0 -53.9 -52.51 67.23 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.442 0.534 . . . . 71.329999999999998 112.442 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 71.5 Cg_endo -74.59 -8.17 20.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.834 1.69 . . . . 72.319999999999993 113.166 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.539 ' OD1' ' HB3' ' A' ' 61' ' ' ALA . 10.1 m-20 -98.76 -0.23 43.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 55.149999999999999 110.408 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.81 -47.42 77.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.81 -0.632 . . . . 60.439999999999998 111.782 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -61.65 -37.26 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 75.349999999999994 111.45 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.63 94.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 61.439999999999998 110.844 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.554 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.8 -41.8 74.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 41.520000000000003 110.927 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 61.2 t -61.2 -46.97 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 72.099999999999994 111.073 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -60.71 -41.02 94.41 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.317 -0.402 . . . . 74.530000000000001 111.44 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.4 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.5 m95 -68.55 -39.14 81.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.59 -0.277 . . . . 75.010000000000005 110.787 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.0 mm -65.58 -38.65 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.653 -0.249 . . . . 74.310000000000002 111.016 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 42.0 mtmt -58.8 -33.22 70.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.517 . . . . 73.140000000000001 110.511 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -86.4 -15.87 39.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.589 -0.732 . . . . 60.039999999999999 110.551 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -80.32 -43.94 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.721 -0.672 . . . . 75.340000000000003 110.974 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.636 -0.697 . . . . 73.209999999999994 110.869 -176.855 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.942 ' HD3' ' H ' ' A' ' 20' ' ' ASP . 4.2 tmtt? . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.351 -0.611 . . . . 61.109999999999999 109.351 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.942 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 1.9 m-20 -67.16 82.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.307 0.379 . . . . 73.030000000000001 111.9 -176.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -101.7 113.82 27.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.233 -1.025 . . . . 72.310000000000002 108.233 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.62 106.17 14.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.814 0.816 . . . . 72.120000000000005 111.156 -172.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.013 HD21 HG13 ' A' ' 72' ' ' ILE . 58.8 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.884 -1.053 . . . . 53.350000000000001 110.007 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 57' ' ' SER . 51.2 mt -92.36 164.84 13.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 73.420000000000002 109.766 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -140.46 115.8 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.162 -0.31 . . . . 70.329999999999998 110.162 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 25.7 62.04 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.848 -0.691 . . . . 55.25 113.683 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.573 HD22 HD13 ' A' ' 24' ' ' LEU . 10.1 mp -102.66 151.74 22.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.177 0.488 . . . . 73.120000000000005 110.909 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -101.46 176.12 5.34 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.172 -0.677 . . . . 62.350000000000001 109.172 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -62.73 -37.1 85.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.444 0.298 . . . . 75.129999999999995 110.808 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.17 -37.67 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 73.420000000000002 111.577 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.508 ' HG3' HD23 ' A' ' 27' ' ' LEU . 52.8 tp60 -86.59 -33.32 20.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 71.340000000000003 110.406 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.69 69.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 43.450000000000003 110.533 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 74.510000000000005 110.963 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.49 -29.23 66.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.533 . . . . 64.230000000000004 110.33 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 HD12 ' A' ' 72' ' ' ILE . 78.3 t -77.67 -51.43 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.377 -0.828 . . . . 64.019999999999996 110.933 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.3 tt -65.38 -20.76 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.025 0.441 . . . . 65.040000000000006 110.711 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.09 77.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 55.299999999999997 111.274 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.3 p -74.59 -27.93 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.863 -0.335 . . . . 75.319999999999993 110.528 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 36' ' ' ILE . 3.1 mm? -73.52 -43.91 58.94 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.506 -0.553 . . . . 63.219999999999999 109.506 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.78 -44.55 93.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.616 -0.72 . . . . 73.120000000000005 110.389 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.8 tpt -68.6 -20.71 64.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 61.329999999999998 110.731 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -93.89 2.41 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.873 0.368 . . . . 65.510000000000005 110.18 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 62.58 33.36 15.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.526 -0.761 . . . . 60.439999999999998 111.942 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 tt -113.73 131.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.958 -0.386 . . . . 64.109999999999999 109.958 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.48 130.99 38.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.356 0.598 . . . . 71.140000000000001 111.098 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 151.8 35.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 43.229999999999997 110.423 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.404 ' HB2' HG23 ' A' ' 59' ' ' THR . 16.1 m120 -105.89 163.2 12.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.223 -0.444 . . . . 62.210000000000001 110.376 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -104.3 125.32 50.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.104 -0.498 . . . . 72.109999999999999 110.901 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 20' ' ' ASP . 6.9 pt -115.13 102.69 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.221 0.534 . . . . 75.0 110.626 174.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -100.41 128.85 46.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.675 -0.693 . . . . 64.129999999999995 110.616 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 44.7 m -152.85 152.41 31.53 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.204 -0.665 . . . . 74.019999999999996 109.204 176.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.09 -46.61 94.2 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.047 -0.597 . . . . 71.099999999999994 113.345 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -78.06 -10.26 59.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 73.519999999999996 111.127 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 41.5 tp -105.62 -46.53 4.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 73.109999999999999 111.334 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.9 -128.56 8.99 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.475 -0.65 . . . . 62.229999999999997 111.475 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -106.69 119.49 39.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.911 0.386 . . . . 75.219999999999999 110.247 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 24' ' ' LEU . 53.6 m -139.96 155.89 46.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.114 -0.493 . . . . 62.140000000000001 110.915 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.402 HD11 ' HB ' ' A' ' 36' ' ' ILE . 43.1 mm -95.97 134.73 32.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 75.409999999999997 109.885 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.405 HG21 HG23 ' A' ' 49' ' ' ILE . 2.4 t -130.98 161.85 31.03 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.934 -0.395 . . . . 63.119999999999997 109.934 174.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -141.92 173.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.406 -0.59 . . . . 61.109999999999999 109.406 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.27 140.78 16.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.459 0.474 . . . . 51.409999999999997 110.517 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 2.6 mp0 -45.38 -52.18 23.22 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.218 0.821 . . . . 73.25 113.218 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 15.3 Cg_exo -68.96 -23.95 33.94 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.985 1.79 . . . . 63.520000000000003 112.683 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -87.56 2.49 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 74.150000000000006 111.074 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -57.57 -36.41 71.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.903 -0.59 . . . . 73.519999999999996 110.954 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -60.07 -28.91 68.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.853 -0.612 . . . . 74.519999999999996 111.483 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.56 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 73.319999999999993 110.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.68 -49.3 70.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.885 -0.598 . . . . 64.150000000000006 110.908 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.29 -40.55 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.509 . . . . 70.239999999999995 110.775 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -64.27 -47.59 78.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 74.400000000000006 111.063 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -67.42 -40.48 85.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 72.530000000000001 111.047 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.013 HG13 HD21 ' A' ' 23' ' ' LEU . 39.9 mm -71.71 -31.22 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.855 0.359 . . . . 73.129999999999995 110.97 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.03 -25.46 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.332 0.587 . . . . 63.329999999999998 110.063 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -77.34 -24.85 50.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 74.549999999999997 110.634 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -71.88 -38.93 69.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 65.219999999999999 110.893 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.715 -0.66 . . . . 65.310000000000002 110.464 -176.568 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 119.954 -0.069 . . . . 71.439999999999998 111.082 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 68.15 -51.08 0.54 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.497 1.295 . . . . 61.25 114.497 169.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -54.05 116.53 2.63 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.465 0.306 . . . . 75.439999999999998 111.13 -172.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.71 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 p-10 -75.38 125.41 28.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.618 -0.719 . . . . 72.329999999999998 110.536 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 tp -92.5 -20.03 21.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.408 -0.815 . . . . 71.519999999999996 110.166 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 27' ' ' LEU . 29.4 mt -142.58 152.79 42.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.386 -0.824 . . . . 74.120000000000005 109.837 -173.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -131.62 116.61 17.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 72.120000000000005 110.588 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.44 19.6 54.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.836 -0.697 . . . . 73.109999999999999 113.053 174.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' HG ' ' OE1' ' A' ' 31' ' ' GLN . 8.7 mp -100.76 146.13 27.63 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.594 -0.357 . . . . 51.009999999999998 110.5 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -101.83 178.36 4.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 74.140000000000001 110.352 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -59.83 -38.61 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 70.219999999999999 110.631 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.75 -31.07 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.93 -0.577 . . . . 71.230000000000004 111.318 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.596 ' OE1' ' HG ' ' A' ' 27' ' ' LEU . 78.8 mt-30 -87.08 -41.42 13.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.171 0.51 . . . . 73.239999999999995 110.307 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.32 -19.19 65.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 70.420000000000002 111.237 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -54.74 -36.82 65.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 70.420000000000002 111.594 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.41 -37.73 36.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.307 0.575 . . . . 71.430000000000007 110.162 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG11 HD11 ' A' ' 24' ' ' LEU . 90.6 t -60.38 -52.06 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 64.450000000000003 111.472 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 tt -73.15 -19.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.82 0.343 . . . . 75.030000000000001 110.937 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.05 96.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 74.140000000000001 111.147 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 35' ' ' VAL . 7.2 p -73.9 -26.68 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.056 0.455 . . . . 42.009999999999998 110.34 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.531 HD12 HG13 ' A' ' 38' ' ' VAL . 10.8 mp -73.54 -46.44 47.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 63.049999999999997 110.419 176.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.6 -36.19 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 73.010000000000005 111.217 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -64.68 -35.69 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.037 0.446 . . . . 71.420000000000002 110.784 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -87.92 -6.65 57.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.342 -0.39 . . . . 60.229999999999997 111.071 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 61.06 31.71 19.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.543 0.687 . . . . 65.099999999999994 110.947 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.1 tt -82.86 145.93 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.145 -0.687 . . . . 44.439999999999998 109.145 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.81 110.34 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.025 0.44 . . . . 64.219999999999999 110.847 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.32 123.42 43.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.963 -0.562 . . . . 64.519999999999996 110.607 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.68 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.0 m120 -105.88 158.15 16.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.655 -0.869 . . . . 74.439999999999998 108.655 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -114.98 137.98 51.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.742 -0.383 . . . . 71.239999999999995 111.275 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.704 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.1 pt -137.64 127.55 36.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 74.439999999999998 111.22 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -110.56 132.58 54.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.971 -0.559 . . . . 60.119999999999997 109.976 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 57.7 m -156.33 159.64 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.223 -0.288 . . . . 74.209999999999994 110.223 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.12 -44.55 87.06 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.884 -0.674 . . . . 62.399999999999999 112.196 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -67.43 -15.72 63.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.08 0.467 . . . . 74.010000000000005 111.527 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 22' ' ' ASP . 2.6 tt -113.5 -42.66 3.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.985 -0.552 . . . . 72.230000000000004 112.363 -167.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 -115.2 4.39 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.921 -0.871 . . . . 72.120000000000005 110.921 -173.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.58 115.57 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.482 -0.933 . . . . 65.519999999999996 108.482 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.684 ' HB2' HD11 ' A' ' 54' ' ' LEU . 70.4 m -151.05 179.71 8.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.153 0.502 . . . . 72.450000000000003 111.484 -175.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.434 HG21 HD22 ' A' ' 39' ' ' LEU . 9.2 mm -109.85 149.2 12.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.364 -0.835 . . . . 62.509999999999998 110.882 -174.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.704 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.3 t -134.6 158.62 43.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.626 -1.25 . . . . 53.340000000000003 107.626 169.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.5 m -130.21 172.42 15.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 C-N-CA 120.747 -0.381 . . . . 63.240000000000002 110.619 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 147.64 36.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 71.450000000000003 109.829 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 42.4 mt-10 -54.64 -47.98 96.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.409 0.522 . . . . 52.450000000000003 112.409 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 23.0 Cg_endo -63.45 -32.29 71.26 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.722 1.614 . . . . 64.549999999999997 112.798 175.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.621 ' HB3' HD11 ' A' ' 44' ' ' ILE . 1.8 m-20 -85.89 1.49 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.708 0.29 . . . . 74.219999999999999 111.528 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.81 -28.78 69.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 65.439999999999998 110.95 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -58.56 -41.35 85.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.905 -0.589 . . . . 63.140000000000001 111.087 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.02 58.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 55.240000000000002 111.386 -175.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.499 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.78 -55.55 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 72.510000000000005 111.224 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.65 -29.24 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.098 0.475 . . . . 74.340000000000003 110.467 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -67.02 -44.57 79.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 74.409999999999997 110.762 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -73.06 -46.84 49.43 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.435 -0.348 . . . . 64.549999999999997 111.234 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.528 HD12 HG13 ' A' ' 35' ' ' VAL . 32.8 mm -70.97 -8.68 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.284 0.564 . . . . 73.25 111.557 -172.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 73' ' ' LYS . 36.0 ttmt -62.3 -23.51 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.253 -0.431 . . . . 62.310000000000002 110.603 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.9 p -81.28 -15.15 56.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.043 0.449 . . . . 73.5 111.259 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -98.49 107.39 19.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 75.329999999999998 110.605 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.37 -0.824 . . . . 73.099999999999994 109.643 -178.522 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.896 0.379 . . . . 70.230000000000004 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -123.84 102.77 7.97 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.84 -0.344 . . . . 61.32 111.328 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HE3' ' HD1' ' A' ' 65' ' ' PHE . 1.7 mptp? -134.49 126.61 29.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 73.450000000000003 110.149 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.1 106.18 9.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 61.329999999999998 110.357 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 HG13 ' A' ' 72' ' ' ILE . 20.9 tp -93.0 -51.09 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.596 -0.729 . . . . 72.349999999999994 111.225 -173.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 23' ' ' LEU . 5.7 mp -117.36 173.25 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.102 -0.333 . . . . 74.540000000000006 110.102 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -140.27 116.76 10.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.566 0.222 . . . . 51.030000000000001 111.083 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.11 -31.97 8.13 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.769 -0.729 . . . . 61.5 113.829 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 31' ' ' GLN . 6.4 mp -65.43 146.08 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 74.109999999999999 111.103 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -98.74 179.75 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.99 -0.55 . . . . 73.109999999999999 109.517 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -47.44 76.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.427 . . . . 75.219999999999999 110.758 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.97 -31.2 68.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 54.32 112.255 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.6 mp0 -86.8 -32.12 20.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.022 0.439 . . . . 64.420000000000002 110.645 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.85 -19.39 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 74.439999999999998 110.888 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -51.65 -46.27 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 72.239999999999995 111.296 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.58 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.315 0.578 . . . . 71.030000000000001 110.509 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 38' ' ' VAL . 45.1 t -83.96 -52.79 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.577 -0.738 . . . . 71.129999999999995 110.684 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.0 tt -60.43 -26.0 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.841 0.353 . . . . 30.030000000000001 111.184 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.14 77.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 72.430000000000007 111.267 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.2 p -76.79 -27.44 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.353 . . . . 75.019999999999996 110.722 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.589 HD21 HD11 ' A' ' 72' ' ' ILE . 3.3 mm? -70.91 -49.0 50.57 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.643 -0.503 . . . . 74.349999999999994 109.643 175.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.82 -40.18 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 52.329999999999998 110.046 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.97 -32.91 68.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.274 -0.875 . . . . 62.310000000000002 111.552 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -92.86 1.91 57.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.494 -0.321 . . . . 74.019999999999996 111.707 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.54 20.91 11.64 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.983 0.42 . . . . 70.219999999999999 111.571 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.558 HD11 ' HB3' ' A' ' 64' ' ' ASP . 10.8 tt -87.48 150.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.96 -0.564 . . . . 74.239999999999995 109.644 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' O ' HG12 ' A' ' 60' ' ' VAL . 4.5 tp10 -54.56 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.366 0.416 . . . . 70.420000000000002 110.706 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -110.36 113.13 25.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 75.109999999999999 109.954 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.676 ' HB3' HG23 ' A' ' 59' ' ' THR . 66.5 t30 -118.6 140.79 49.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.987 -0.551 . . . . 71.420000000000002 109.862 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -98.29 104.92 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 73.25 110.912 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.409 HG23 ' CG2' ' A' ' 59' ' ' THR . 8.8 pt -90.32 123.35 42.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.968 0.414 . . . . 73.519999999999996 110.761 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -109.26 135.9 49.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.692 -0.685 . . . . 70.549999999999997 110.318 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.593 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 39.3 m -154.75 169.27 24.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.929 -0.578 . . . . 61.229999999999997 109.724 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.66 -37.03 10.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 71.540000000000006 112.104 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -80.61 -30.71 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.202 0.525 . . . . 71.430000000000007 110.554 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 7.4 tt -98.62 -35.14 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.63 -0.714 . . . . 74.420000000000002 111.427 -173.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.8 -113.48 4.1 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.157 -0.777 . . . . 71.530000000000001 111.157 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -131.29 138.17 49.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.904 0.383 . . . . 75.010000000000005 110.324 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.1 m -149.02 165.69 30.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 111.039 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.495 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.5 mm -102.48 108.36 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.562 -0.745 . . . . 70.540000000000006 109.73 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 47' ' ' ASN . 12.3 t -101.12 153.3 19.7 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.808 -0.441 . . . . 64.310000000000002 109.808 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 68' ' ' ALA . 21.9 m -128.76 173.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.271 -0.422 . . . . 75.150000000000006 110.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.87 149.0 50.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.048 -0.524 . . . . 64.209999999999994 110.615 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.549 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 13.2 mp0 -51.31 -45.55 89.66 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 112.784 0.661 . . . . 64.219999999999999 112.784 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 18.1 Cg_endo -61.41 -11.78 21.15 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.264 1.976 . . . . 72.329999999999998 113.712 177.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.558 ' HB3' HD11 ' A' ' 44' ' ' ILE . 52.2 m-20 -114.54 22.64 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 75.409999999999997 110.526 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HD1' ' HE3' ' A' ' 21' ' ' LYS . 90.3 t80 -49.81 -59.34 3.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.813 -0.631 . . . . 63.409999999999997 112.468 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -71.51 -23.35 61.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.708 0.289 . . . . 43.109999999999999 111.473 -174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.73 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.408 -0.36 . . . . 63.130000000000003 110.977 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.51 -51.42 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.022 -0.535 . . . . 74.319999999999993 111.497 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.11 -34.26 67.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 75.019999999999996 110.789 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -74.23 -29.17 61.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 75.019999999999996 111.55 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.2 m95 -76.59 -20.73 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 74.150000000000006 110.894 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 68' ' ' ALA . 21.5 mm -88.47 -5.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.004 0.43 . . . . 74.439999999999998 110.313 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -53.75 -27.14 26.91 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.749 0.648 . . . . 62.100000000000001 112.749 -173.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 p -70.02 -21.53 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.928 0.344 . . . . 64.140000000000001 111.928 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -113.4 -45.23 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 71.109999999999999 111.39 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 C--O 1.242 0.664 0 CA-C-O 118.609 -0.71 . . . . 74.420000000000002 110.117 -177.22 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 59' ' ' THR . 1.4 ttmp? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.194 0.521 . . . . 74.120000000000005 109.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -124.64 26.33 7.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.6 -0.727 . . . . 54.509999999999998 109.919 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -86.14 128.83 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 75.120000000000005 109.699 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.01 132.02 35.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.345 0.593 . . . . 34.439999999999998 110.226 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 tp -107.89 -40.55 5.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.883 -0.598 . . . . 74.209999999999994 110.754 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 35' ' ' VAL . 41.1 mt -114.89 167.34 10.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.87 -0.605 . . . . 73.109999999999999 110.023 -174.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -134.5 115.62 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.558 0.218 . . . . 75.140000000000001 110.565 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 52.08 9.1 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.129 -0.557 . . . . 72.019999999999996 114.179 172.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.572 HD22 HD13 ' A' ' 24' ' ' LEU . 7.5 mp -118.87 150.87 39.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.98 0.39 . . . . 73.519999999999996 110.132 172.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.68 176.69 6.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.398 . . . . 74.25 110.106 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.61 -57.97 10.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.508 0.323 . . . . 75.140000000000001 111.611 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.63 -23.9 66.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 72.120000000000005 110.993 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.35 -32.03 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.138 0.494 . . . . 70.0 110.088 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.91 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.711 -0.677 . . . . 63.329999999999998 111.209 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' HA ' HG22 ' A' ' 36' ' ' ILE . 8.8 t30 -54.99 -41.53 71.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.34 -0.391 . . . . 41.119999999999997 111.311 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.5 tp10 -60.52 -46.09 91.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.974 0.416 . . . . 75.129999999999995 110.067 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 24' ' ' LEU . 60.7 t -68.21 -45.92 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 72.430000000000007 111.419 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.557 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 17.8 tt -64.3 -32.29 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.896 -0.322 . . . . 52.119999999999997 110.534 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.1 82.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 54.219999999999999 110.174 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 34' ' ' GLU . 69.8 t -56.01 -53.14 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.284 -0.416 . . . . 63.119999999999997 110.349 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 46' ' ' ALA . 4.5 mm? -56.89 -51.08 70.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 73.010000000000005 110.976 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.18 -37.47 87.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.31 -0.405 . . . . 53.530000000000001 111.272 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -66.36 -24.14 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 54.329999999999998 111.135 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -89.12 11.94 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 72.140000000000001 110.864 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 65.4 28.03 11.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.906 -0.588 . . . . 74.230000000000004 112.504 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 64' ' ' ASP . 14.8 tt -112.4 145.11 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.256 -0.646 . . . . 54.340000000000003 109.256 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.62 104.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.441 0.638 . . . . 70.450000000000003 111.343 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -99.01 114.65 27.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.42 -0.809 . . . . 42.5 110.035 178.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 59' ' ' THR . 25.1 t-20 -107.24 145.1 33.1 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.193 -0.458 . . . . 75.329999999999998 109.772 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -89.15 123.83 33.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.58 . . . . 70.329999999999998 110.981 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.571 HD13 ' HB ' ' A' ' 59' ' ' THR . 25.4 pt -122.42 118.84 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.128 0.49 . . . . 71.519999999999996 110.822 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -109.57 139.41 44.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.99 -0.55 . . . . 74.420000000000002 109.992 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -157.57 151.84 24.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.596 -0.52 . . . . 71.340000000000003 109.596 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.71 -43.6 98.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.754 -0.736 . . . . 63.299999999999997 112.836 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -73.78 -16.79 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.842 0.353 . . . . 70.319999999999993 111.81 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.1 tp -113.63 -39.42 4.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.926 0.393 . . . . 74.439999999999998 111.846 -168.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.33 -125.12 7.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.696 -0.962 . . . . 64.120000000000005 110.696 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -117.13 121.45 41.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.999 0.428 . . . . 71.329999999999998 110.106 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.8 m -140.43 170.04 16.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.964 -0.562 . . . . 61.299999999999997 110.512 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.4 mm -108.03 141.6 22.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.863 -0.608 . . . . 64.209999999999994 109.718 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.571 ' HB ' HD13 ' A' ' 49' ' ' ILE . 4.0 t -127.41 152.88 46.95 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.914 -0.402 . . . . 62.240000000000002 109.914 176.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 ' HB2' ' A' ' 68' ' ' ALA . 27.7 m -134.09 175.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.859 -0.609 . . . . 60.009999999999998 109.952 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 139.5 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.699 0.624 . . . . 72.439999999999998 110.427 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE1' ' HB2' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -49.58 -55.88 20.05 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.818 0.673 . . . . 70.400000000000006 112.818 -173.176 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -73.58 -5.87 17.79 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.738 1.625 . . . . 62.399999999999999 112.949 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' HB3' HD11 ' A' ' 44' ' ' ILE . 4.0 m-20 -103.24 11.43 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.44 . . . . 74.540000000000006 110.714 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.96 -36.58 77.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 64.030000000000001 110.289 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -62.13 -34.91 77.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 61.130000000000003 110.986 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.13 72.95 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.465 -0.334 . . . . 71.109999999999999 110.203 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.627 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -56.69 -49.23 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 73.140000000000001 110.527 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 -36.54 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 73.510000000000005 110.593 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -62.66 -38.49 90.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.818 -0.628 . . . . 54.340000000000003 110.711 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -71.76 -31.74 66.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 73.230000000000004 110.646 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 68' ' ' ALA . 51.9 mm -63.95 -19.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 75.109999999999999 110.918 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 17.3 mmtt -65.78 -15.67 63.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.389 0.514 . . . . 70.030000000000001 112.389 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.2 p -85.64 1.49 49.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 64.409999999999997 110.465 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -122.05 -41.79 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.656 . . . . 72.409999999999997 110.574 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.982 -0.532 . . . . 74.510000000000005 110.122 -178.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 121.627 0.727 . . . . 74.299999999999997 110.824 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -150.63 29.5 0.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.361 -0.836 . . . . 65.140000000000001 110.174 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.917 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 10.2 mmpt? -73.53 116.61 14.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.702 -0.681 . . . . 52.130000000000003 110.745 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.37 129.75 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 75.099999999999994 110.626 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 72' ' ' ILE . 20.1 tp -111.64 -45.17 3.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.475 -0.784 . . . . 72.329999999999998 109.841 -177.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 35' ' ' VAL . 62.1 mt -137.15 138.48 40.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.124 -0.943 . . . . 72.420000000000002 109.377 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 9.1 mtpm? -114.23 123.05 48.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.138 0.494 . . . . 75.010000000000005 111.951 -174.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.24 40.59 10.05 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.626 -0.716 . . . . 50.520000000000003 112.405 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD22 HD13 ' A' ' 24' ' ' LEU . 20.4 tp -116.79 129.47 56.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.957 -0.386 . . . . 73.340000000000003 109.957 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.09 160.62 27.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.367 -0.379 . . . . 64.510000000000005 110.103 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -61.7 -33.65 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 74.030000000000001 109.821 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.63 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 50.25 110.613 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.84 -22.22 34.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 51.210000000000001 110.852 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 27' ' ' LEU . . . -62.49 -18.5 61.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.817 -0.629 . . . . 54.109999999999999 111.136 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -46.96 -43.02 18.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.399 -0.818 . . . . 71.450000000000003 111.96 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.0 -43.9 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.157 0.504 . . . . 61.310000000000002 110.952 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 24' ' ' LEU . 45.7 t -79.07 -42.61 23.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.774 -0.648 . . . . 73.430000000000007 111.633 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.36 -31.83 52.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.676 0.274 . . . . 72.010000000000005 110.665 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.63 92.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 60.520000000000003 110.473 177.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.97 -54.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 71.230000000000004 110.485 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.409999999999997 110.808 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.75 -47.46 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 74.140000000000001 111.028 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mmm -66.9 -25.51 66.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.359 . . . . 74.010000000000005 111.583 -177.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -82.93 7.95 13.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.614 0.245 . . . . 54.549999999999997 111.006 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 63.46 22.19 13.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.864 -0.607 . . . . 65.040000000000006 111.968 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 tt -100.49 145.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.048 -0.723 . . . . 74.430000000000007 109.048 175.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 60' ' ' VAL . 41.4 tt0 -69.47 124.67 24.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.363 -0.381 . . . . 43.420000000000002 111.496 -173.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.48 114.21 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.053 -0.521 . . . . 53.509999999999998 110.846 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.605 ' HB2' HG23 ' A' ' 59' ' ' THR . 45.1 m-80 -113.98 156.82 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.426 -0.352 . . . . 53.240000000000002 110.185 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.84 142.92 27.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 42.329999999999998 111.987 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.551 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.8 pt -143.29 104.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 63.200000000000003 109.498 167.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.574 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 20.7 t70 -108.13 131.21 54.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.922 0.391 . . . . 73.209999999999994 110.427 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.7 m -156.34 151.99 27.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.786 -0.643 . . . . 75.099999999999994 109.334 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.98 95.1 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.756 -0.735 . . . . 72.230000000000004 112.933 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -70.6 -17.92 62.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 64.430000000000007 111.241 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tt -113.45 -53.21 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.229 -0.441 . . . . 61.100000000000001 111.987 -166.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 95.36 -134.05 11.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.504 -1.039 . . . . 41.119999999999997 110.504 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 31.3 m-85 -111.94 119.42 38.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.04 0.448 . . . . 72.049999999999997 111.056 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.407 ' OG ' HD21 ' A' ' 54' ' ' LEU . 45.5 m -120.45 159.29 25.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.861 -0.609 . . . . 74.049999999999997 110.338 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.4 mm -96.24 100.41 10.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.086 -0.709 . . . . 72.349999999999994 109.086 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.605 HG23 ' HB2' ' A' ' 47' ' ' ASN . 14.5 t -92.5 133.59 35.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.78 0.8 . . . . 62.340000000000003 110.39 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 45' ' ' GLU . 34.1 m -113.97 174.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.833 -1.076 . . . . 71.409999999999997 108.58 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.06 142.06 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.067 -0.346 . . . . 74.019999999999996 110.067 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 55.2 mt-10 -54.75 -48.24 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 112.936 0.717 . . . . 75.200000000000003 112.936 -172.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 40.6 Cg_endo -68.01 -14.45 41.07 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.713 1.609 . . . . 65.319999999999993 112.771 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -97.91 -0.68 44.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 44.450000000000003 111.227 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 69' ' ' VAL . 47.6 t80 -59.05 -31.14 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 53.43 110.931 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -55.9 -43.62 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.949 -0.568 . . . . 70.329999999999998 111.466 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.53 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 55.109999999999999 110.772 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.593 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -57.26 -46.6 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 72.540000000000006 110.959 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 65' ' ' PHE . 68.7 t -58.62 -40.5 79.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.187 -0.461 . . . . 71.340000000000003 110.828 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.84 -38.34 83.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 111.019 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.7 m95 -67.75 -33.14 74.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.585 -0.28 . . . . 74.420000000000002 110.871 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -65.5 -22.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 73.439999999999998 111.362 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -63.15 -22.87 67.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 72.340000000000003 111.119 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.6 p -79.44 -12.88 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 73.239999999999995 111.012 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -86.64 97.06 10.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.53 -0.545 . . . . 75.049999999999997 109.53 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.517 -0.765 . . . . 43.350000000000001 109.544 -178.896 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.754 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 3.7 ttmp? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.28 0.086 . . . . 75.530000000000001 111.102 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HA ' HG21 ' A' ' 59' ' ' THR . 12.7 p-10 -60.66 107.41 0.68 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.38 0.609 . . . . 64.400000000000006 111.605 -175.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 34.6 mmtm -145.79 149.76 34.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 74.230000000000004 110.602 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.516 ' HB3' HD11 ' A' ' 54' ' ' LEU . 7.4 p-10 -77.71 133.28 38.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.721 . . . . 75.200000000000003 110.976 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HB ' ' A' ' 58' ' ' ILE . 34.2 tp -112.43 -28.72 7.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.602 -0.726 . . . . 71.129999999999995 110.08 174.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 27' ' ' LEU . 67.0 mt -133.87 175.67 9.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 72.019999999999996 109.606 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -140.13 125.41 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.371 0.137 . . . . 71.329999999999998 111.371 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.27 94.5 Favored Glycine 0 C--N 1.333 0.372 0 O-C-N 123.596 0.56 . . . . 53.030000000000001 113.307 173.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 24' ' ' LEU . 12.8 tp -112.73 144.89 41.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.093 -0.336 . . . . 65.049999999999997 110.093 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.23 161.51 14.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.779 0.324 . . . . 73.209999999999994 110.383 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -54.95 -35.41 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.779 -0.646 . . . . 72.140000000000001 111.533 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.61 -35.58 79.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 64.409999999999997 111.081 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.504 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 47.3 mt-30 -81.13 -27.81 35.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 75.329999999999998 110.483 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.2 -22.85 67.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.739 -0.664 . . . . 75.409999999999997 111.098 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.59 -40.91 69.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.064 -0.516 . . . . 61.149999999999999 110.953 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.45 -30.73 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.63 -0.714 . . . . 64.319999999999993 110.839 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 24' ' ' LEU . 34.1 t -89.42 -45.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 70.540000000000006 111.357 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 tt -61.72 -31.52 51.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.851 0.358 . . . . 73.409999999999997 111.238 -175.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.95 73.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.095 -0.502 . . . . 65.140000000000001 110.87 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.0 -46.26 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.607 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.9 mm? -64.89 -52.97 53.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.057 -0.519 . . . . 75.530000000000001 110.965 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.51 -28.5 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 73.209999999999994 111.214 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 ttm -70.02 -35.91 74.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.407 . . . . 70.450000000000003 110.771 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -87.94 15.98 6.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 111.091 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.87 26.21 11.13 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.553 0.575 . . . . 73.099999999999994 112.553 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.44 128.26 70.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.987 -0.375 . . . . 70.099999999999994 109.987 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.31 121.82 11.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.932 -0.577 . . . . 53.030000000000001 110.777 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 113.99 23.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.691 -0.686 . . . . 63.340000000000003 110.603 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -105.99 155.29 19.52 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.43 -0.582 . . . . 71.310000000000002 109.43 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -105.1 133.35 50.02 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 121.042 -0.263 . . . . 62.329999999999998 110.515 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 57' ' ' SER . 1.1 pt -93.43 103.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 55.399999999999999 110.594 174.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.02 102.0 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 50.32 109.732 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.8 m -152.57 117.11 5.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 65.340000000000003 109.431 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.96 -30.54 76.18 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 121.223 -0.513 . . . . 53.409999999999997 113.08 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.78 -36.02 50.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.156 0.503 . . . . 74.349999999999994 110.838 -178.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 22' ' ' ASP . 5.3 tt -86.53 -40.48 15.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 110.307 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.83 168.88 29.73 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.557 -1.017 . . . . 72.400000000000006 110.557 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -76.16 117.74 18.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 72.129999999999995 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.623 ' HB2' HD11 ' A' ' 49' ' ' ILE . 75.6 m -133.44 169.7 16.57 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.156 -0.929 . . . . 65.329999999999998 110.104 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.561 HG21 ' HG ' ' A' ' 39' ' ' LEU . 34.8 mm -100.47 120.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.91 -0.586 . . . . 74.120000000000005 110.584 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.547 HG21 ' HA ' ' A' ' 20' ' ' ASP . 31.9 m -113.85 133.43 55.42 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.802 -0.635 . . . . 74.230000000000004 109.92 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 31.5 m -123.54 173.46 9.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.105 -0.498 . . . . 65.109999999999999 111.274 -174.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.754 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . . . -58.56 149.94 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 72.519999999999996 110.986 177.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.581 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 55.7 mp0 -49.87 -54.52 31.48 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.906 0.706 . . . . 55.509999999999998 112.906 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 18.4 Cg_exo -67.67 -14.51 42.16 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.868 1.712 . . . . 72.319999999999993 113.053 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -107.36 3.71 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.568 0.21 . . . . 72.400000000000006 111.568 -176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.543 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 61.8 t80 -59.86 -49.85 76.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 72.310000000000002 111.312 -176.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 t -62.31 -29.42 70.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 74.209999999999994 111.108 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.86 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 64.030000000000001 110.341 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.1 -39.35 81.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 71.099999999999994 111.012 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 65' ' ' PHE . 62.0 t -61.12 -35.14 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.968 -0.56 . . . . 73.200000000000003 110.718 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.29 -34.03 65.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 71.209999999999994 110.788 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -68.65 -25.92 65.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 60.509999999999998 110.84 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.2 mm -68.11 -23.77 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.035 -0.53 . . . . 74.030000000000001 110.727 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 65.7 mmtt -62.49 -33.34 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 73.519999999999996 111.627 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -76.48 -26.7 55.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 71.140000000000001 111.359 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -73.23 125.05 26.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.117 0.484 . . . . 73.409999999999997 110.55 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.484 -0.769 . . . . 63.5 109.863 -179.538 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 pttm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.391 -0.225 . . . . 74.420000000000002 110.391 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 38.85 69.2 0.29 Allowed 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.027 0.83 . . . . 65.25 113.078 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -124.31 126.08 45.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.878 -0.416 . . . . 63.100000000000001 109.878 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' HB3' ' HE3' ' A' ' 25' ' ' LYS . 4.4 m-20 -70.3 105.59 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 64.219999999999999 109.834 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 58' ' ' ILE . 18.0 tp -96.13 -61.37 1.45 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 64.340000000000003 110.134 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 35' ' ' VAL . 67.4 mt -115.71 137.02 52.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.836 -0.62 . . . . 73.319999999999993 109.627 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 22' ' ' ASP . 11.2 mptt -113.63 115.57 28.11 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.561 -0.455 . . . . 75.219999999999999 110.39 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.96 -19.51 33.79 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.018 -0.61 . . . . 74.349999999999994 113.288 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.452 HD22 HD22 ' A' ' 24' ' ' LEU . 7.9 mp -67.88 138.98 56.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.884 0.373 . . . . 75.099999999999994 111.002 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HA ' ' HD1' ' A' ' 56' ' ' TYR . 17.4 t70 -85.19 166.6 16.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.847 -0.615 . . . . 71.329999999999998 109.619 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.709 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 10.5 pt20 -70.72 -17.13 62.82 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.001 -0.279 . . . . 60.009999999999998 111.231 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -57.85 -41.44 82.37 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.356 0.598 . . . . 75.230000000000004 109.604 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.01 -36.96 24.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.382 -0.826 . . . . 65.329999999999998 110.004 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -64.43 -19.99 65.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.714 -0.676 . . . . 74.319999999999993 111.376 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.51 -43.7 79.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 63.43 110.283 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.78 -32.33 70.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.421 0.629 . . . . 61.539999999999999 110.188 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 24' ' ' LEU . 80.9 t -71.12 -51.32 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.204 -0.907 . . . . 74.129999999999995 111.377 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 tt -70.96 -23.93 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.828 0.347 . . . . 75.120000000000005 110.684 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.33 96.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.206 -0.452 . . . . 44.210000000000001 111.171 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.6 p -68.08 -31.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.414 . . . . 64.430000000000007 110.177 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 44' ' ' ILE . 9.2 mp -64.58 -49.23 71.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 74.109999999999999 110.406 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -59.32 -40.12 85.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 74.109999999999999 110.809 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.1 mtt -75.76 -4.28 39.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 111.815 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -113.08 9.83 18.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 63.539999999999999 110.869 175.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 t30 63.34 25.46 14.66 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.474 -0.785 . . . . 62.219999999999999 111.807 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 39' ' ' LEU . 11.6 tt -96.16 150.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.047 -0.408 . . . . 71.150000000000006 110.055 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.34 137.12 56.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.417 -0.356 . . . . 74.329999999999998 110.455 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.93 121.19 20.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.828 0.347 . . . . 64.209999999999994 110.654 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.577 ' HB2' HG23 ' A' ' 59' ' ' THR . 81.2 m-20 -109.84 151.61 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.372 -0.377 . . . . 53.399999999999999 110.32 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -103.84 119.2 38.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.263 -0.426 . . . . 74.219999999999999 110.419 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.441 HD13 ' HB ' ' A' ' 59' ' ' THR . 28.4 pt -125.63 118.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 72.299999999999997 111.267 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.16 139.64 43.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.695 -0.684 . . . . 75.349999999999994 109.328 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.1 m -153.75 142.03 20.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.907 -0.405 . . . . 64.319999999999993 109.907 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.61 92.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.275 -0.488 . . . . 54.43 113.433 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -12.7 54.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.957 0.378 . . . . 73.450000000000003 111.915 -176.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 65.3 tp -110.88 -38.8 5.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 70.540000000000006 111.643 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.36 -126.52 8.95 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.75 -0.94 . . . . 74.329999999999998 110.75 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 28' ' ' ASP . 96.7 m-85 -123.84 119.09 28.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.844 0.354 . . . . 72.409999999999997 110.436 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -124.17 158.5 32.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.186 0.517 . . . . 70.420000000000002 111.008 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' HD22 ' A' ' 23' ' ' LEU . 13.8 mm -111.44 100.95 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.603 -0.888 . . . . 60.350000000000001 108.603 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 47' ' ' ASN . 10.6 t -90.46 151.91 21.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.187 0.518 . . . . 54.219999999999999 110.863 -174.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.47 174.32 11.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.51 -0.768 . . . . 72.099999999999994 109.453 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.71 154.6 40.24 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.666 -0.494 . . . . 74.109999999999999 109.666 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 4.9 mp0 -53.24 -47.66 95.16 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.755 0.65 . . . . 60.509999999999998 112.755 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 31.2 Cg_exo -62.14 -20.68 70.69 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.066 1.844 . . . . 41.240000000000002 113.072 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -98.87 1.27 45.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.511 -0.313 . . . . 74.209999999999994 111.07 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.39 -44.52 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 75.319999999999993 111.331 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -66.86 -24.67 66.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 74.030000000000001 111.184 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.89 -42.86 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 75.209999999999994 110.653 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.626 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.88 -52.3 60.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.734 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.61 -37.71 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 72.010000000000005 110.832 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.7 -40.14 93.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 63.32 110.909 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.32 -38.75 81.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.006 0.432 . . . . 71.109999999999999 110.577 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 68' ' ' ALA . 29.1 mm -66.64 -29.64 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.55 . . . . 73.319999999999993 110.695 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -62.38 -36.86 83.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 71.099999999999994 110.76 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.59 44.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.012 0.375 . . . . 74.25 112.012 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -84.26 -28.52 27.13 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.077 0.465 . . . . 74.540000000000006 109.913 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.42 -0.8 . . . . 64.400000000000006 110.468 -175.791 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.638 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 59.2 mttp . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.756 0.312 . . . . 74.239999999999995 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.47 98.5 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.773 0.797 . . . . 73.340000000000003 112.221 -171.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 9.9 mmpt? -113.52 142.81 45.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.831 -1.077 . . . . 72.120000000000005 108.344 170.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HB2' HD11 ' A' ' 54' ' ' LEU . 15.8 p-10 -79.3 105.81 10.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.641 0.734 . . . . 71.010000000000005 111.398 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 68' ' ' ALA . 46.2 tp -76.18 -41.06 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.137 -0.938 . . . . 75.010000000000005 110.463 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD13 HD22 ' A' ' 27' ' ' LEU . 35.6 mt -126.72 155.14 43.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.163 -0.926 . . . . 73.540000000000006 108.893 -177.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.26 116.74 14.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.785 -0.366 . . . . 64.510000000000005 110.8 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.34 39.57 5.97 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.772 -0.728 . . . . 71.319999999999993 113.3 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.585 HD22 HD13 ' A' ' 24' ' ' LEU . 8.6 mp -115.47 157.26 24.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 73.530000000000001 111.046 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.75 -178.99 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.54 -0.754 . . . . 64.409999999999997 109.744 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.67 -32.66 72.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 65.519999999999996 110.59 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.92 -57.37 12.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.43 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -66.93 -22.84 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.404 . . . . 55.109999999999999 110.895 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.1 65.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 60.100000000000001 111.391 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.32 -44.43 87.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.92 0.39 . . . . 52.229999999999997 110.234 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.322 0.582 . . . . 75.120000000000005 110.56 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 38' ' ' VAL . 87.5 t -69.02 -53.71 24.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.297 -0.865 . . . . 64.049999999999997 111.685 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 tt -59.94 -23.82 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.771 0.319 . . . . 74.439999999999998 111.205 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.22 97.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 74.299999999999997 111.264 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.2 p -72.57 -29.86 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.687 -0.405 . . . . 72.129999999999995 110.508 -177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.36 -46.2 61.03 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.733 -0.469 . . . . 73.349999999999994 109.733 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.18 -45.4 91.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 54.200000000000003 111.211 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -59.14 -37.08 76.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 62.109999999999999 111.969 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.23 3.68 54.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.571 -0.452 . . . . 62.020000000000003 111.206 -177.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 64.02 24.2 13.49 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.749 -0.659 . . . . 65.349999999999994 112.315 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.0 tt -86.74 147.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.775 -0.454 . . . . 63.119999999999997 109.775 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.1 124.19 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.584 -0.28 . . . . 64.439999999999998 110.631 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.07 126.06 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 73.400000000000006 110.916 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -117.67 165.64 13.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.929 -0.578 . . . . 75.530000000000001 109.984 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -99.08 139.52 34.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.201 -0.454 . . . . 71.030000000000001 111.1 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.561 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.9 pt -128.8 102.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.282 0.563 . . . . 75.140000000000001 110.73 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -101.83 124.81 48.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.356 -0.838 . . . . 71.150000000000006 109.884 175.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -151.65 163.86 38.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 109.926 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.72 85.65 Favored Glycine 0 N--CA 1.454 -0.118 0 C-N-CA 120.799 -0.715 . . . . 71.340000000000003 112.476 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' ' 54' ' ' LEU . 15.7 ptmt -67.94 -22.26 65.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.818 0.342 . . . . 73.530000000000001 111.774 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.591 HD13 ' HE2' ' A' ' 53' ' ' LYS . 7.4 tp -113.91 -44.16 3.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.813 0.671 . . . . 62.210000000000001 112.813 -164.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 92.72 -127.25 8.9 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.412 -1.075 . . . . 63.439999999999998 110.412 -170.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.43 118.96 35.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.878 0.371 . . . . 63.240000000000002 110.063 174.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -141.7 178.16 7.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.393 -0.367 . . . . 75.239999999999995 111.15 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 mm -108.04 144.95 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.073 -0.512 . . . . 25.129999999999999 110.331 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 49' ' ' ILE . 1.9 t -135.49 158.03 45.41 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.989 -1.115 . . . . 71.510000000000005 107.989 170.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 35.9 m -134.64 174.2 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 121.122 -0.231 . . . . 72.219999999999999 110.87 -172.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.49 142.08 14.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 72.239999999999995 110.746 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.638 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 38.2 mt-10 -53.04 -50.67 80.76 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.634 0.605 . . . . 44.030000000000001 112.634 -174.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 20.1 Cg_exo -66.96 -24.25 45.97 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.746 1.63 . . . . 74.209999999999994 112.412 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.562 ' HB3' HD11 ' A' ' 44' ' ' ILE . 42.9 m-20 -96.56 3.82 52.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.092 -0.504 . . . . 74.209999999999994 111.771 -175.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 63.6 t80 -63.86 -34.73 78.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 62.119999999999997 111.054 -176.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -62.68 -26.9 68.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.913 0.387 . . . . 54.149999999999999 110.766 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.91 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.392 -0.367 . . . . 61.140000000000001 110.614 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.63 -46.59 73.94 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.026 0.441 . . . . 75.019999999999996 110.631 176.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.38 -38.2 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.78 -0.646 . . . . 70.409999999999997 110.65 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.35 -47.42 85.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 73.219999999999999 110.13 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -67.3 -38.33 84.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 72.219999999999999 110.86 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 68' ' ' ALA . 48.2 mm -72.27 -29.76 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.873 0.368 . . . . 75.239999999999995 110.642 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -66.66 -24.43 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.131 0.491 . . . . 64.230000000000004 110.099 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.6 m -78.33 -22.9 47.39 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.573 -0.74 . . . . 63.420000000000002 110.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -75.08 122.05 22.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 72.239999999999995 109.804 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.399 -0.81 . . . . 74.420000000000002 110.558 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.753 ' HG2' ' H ' ' A' ' 20' ' ' ASP . 33.0 ttmt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.527 -0.546 . . . . 74.109999999999999 109.527 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.753 ' H ' ' HG2' ' A' ' 19' ' ' LYS . 26.2 t70 64.37 83.37 0.17 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.406 0.622 . . . . 73.450000000000003 111.388 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -125.65 116.36 21.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.782 -0.645 . . . . 72.450000000000003 109.587 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.87 105.61 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 75.120000000000005 110.252 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 tp -102.64 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.228 0.537 . . . . 75.409999999999997 110.565 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD11 HG11 ' A' ' 35' ' ' VAL . 32.5 mt -112.54 163.6 14.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.828 -0.624 . . . . 54.119999999999997 109.962 -174.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -133.39 124.62 27.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.536 0.208 . . . . 73.510000000000005 110.612 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.69 60.0 9.52 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 116.037 -0.529 . . . . 64.120000000000005 113.393 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 HD13 ' A' ' 24' ' ' LEU . 16.8 tp -124.0 149.63 45.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.883 0.341 . . . . 71.400000000000006 110.621 -178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.89 174.09 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 72.219999999999999 110.732 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -74.72 -41.84 59.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.37 -0.377 . . . . 61.549999999999997 110.935 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.83 -29.31 70.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.82 0.343 . . . . 65.109999999999999 110.854 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.05 -36.53 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 70.329999999999998 110.334 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.7 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 75.140000000000001 110.482 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HA ' HG22 ' A' ' 36' ' ' ILE . 7.8 t30 -58.43 -41.77 85.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.78 -0.645 . . . . 64.430000000000007 110.719 176.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.1 -33.92 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.257 0.551 . . . . 71.430000000000007 110.399 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.811 HG11 HD11 ' A' ' 24' ' ' LEU . 73.1 t -76.22 -50.11 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 71.219999999999999 111.023 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.552 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.2 tt -62.46 -23.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.799 0.333 . . . . 71.239999999999995 110.356 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.89 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 74.319999999999993 111.357 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 35' ' ' VAL . 10.0 p -72.27 -31.82 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.846 -0.341 . . . . 73.299999999999997 110.429 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.535 HD12 HG21 ' A' ' 44' ' ' ILE . 3.4 mm? -71.43 -53.84 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 71.120000000000005 110.366 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -63.32 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.727 -0.67 . . . . 60.200000000000003 110.667 -176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 tpp -59.3 -39.3 82.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 54.100000000000001 110.956 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -91.9 8.75 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.943 0.401 . . . . 71.099999999999994 110.795 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 67.2 t30 59.31 32.49 21.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.359 -0.837 . . . . 64.0 111.675 174.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.535 HG21 HD12 ' A' ' 39' ' ' LEU . 11.8 tt -84.79 149.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.024 -0.732 . . . . 62.329999999999998 109.024 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -67.24 97.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.148 0.499 . . . . 74.209999999999994 111.022 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.03 124.53 45.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.354 -0.839 . . . . 45.329999999999998 110.502 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.556 ' HB2' HG23 ' A' ' 59' ' ' THR . 6.4 m-20 -114.26 154.39 28.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.239 -0.652 . . . . 72.439999999999998 109.239 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -97.79 136.39 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.701 -0.227 . . . . 74.409999999999997 110.68 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.521 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.6 pt -129.35 130.33 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 63.329999999999998 111.257 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -109.66 128.42 55.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 73.450000000000003 109.907 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.657 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 29.1 m -153.1 165.84 34.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.908 -0.404 . . . . 75.510000000000005 109.908 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.36 -49.13 12.51 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.768 -0.729 . . . . 71.219999999999999 113.387 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -76.94 -16.68 59.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.442 0.639 . . . . 73.120000000000005 110.441 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 4.2 tt -103.46 -32.67 9.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.25 -0.886 . . . . 75.209999999999994 111.17 -173.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.38 -117.57 5.58 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.157 -0.777 . . . . 72.129999999999995 111.157 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -115.71 118.94 34.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.399 -0.593 . . . . 73.209999999999994 109.399 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.596 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.4 m -146.4 178.42 8.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.014 0.435 . . . . 52.039999999999999 110.841 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.552 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 10.4 mm -110.91 138.37 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.726 -0.67 . . . . 64.349999999999994 110.852 -173.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.556 HG23 ' HB2' ' A' ' 47' ' ' ASN . 11.4 t -121.67 143.29 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.368 -0.975 . . . . 72.430000000000007 108.368 169.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.75 174.77 2.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 120.946 -0.301 . . . . 63.140000000000001 110.55 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.58 146.33 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 124.024 0.827 . . . . 52.25 111.43 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.6 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.6 tp10 -48.75 -54.77 24.24 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.577 -0.738 . . . . 74.129999999999995 112.884 -171.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 19.3 Cg_endo -91.37 0.6 4.66 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.178 1.919 . . . . 74.549999999999997 112.882 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.46 14.46 31.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.025 0.44 . . . . 74.230000000000004 111.18 -173.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.67 -27.37 67.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 72.329999999999998 110.579 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.6 t -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.625 -0.716 . . . . 50.32 111.346 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.3 51.57 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.276 -0.268 . . . . 73.049999999999997 110.276 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.61 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.17 -52.17 59.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.565 . . . . 52.119999999999997 110.672 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.03 -38.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 73.230000000000004 110.77 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -68.06 -40.18 82.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 72.200000000000003 110.768 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.5 m95 -72.06 -36.33 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.334 . . . . 72.129999999999995 110.631 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.9 mm -66.97 -35.39 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 65.439999999999998 110.167 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.26 -23.05 67.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.236 0.541 . . . . 63.140000000000001 110.149 175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.0 m -90.22 -18.71 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.861 -0.609 . . . . 70.409999999999997 110.461 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -78.27 -38.15 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 71.049999999999997 110.535 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 72' ' ' ILE . 14.7 pt20 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.129 -0.939 . . . . 64.340000000000003 111.168 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 112.191 0.441 . . . . 74.230000000000004 112.191 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HA ' ' OG1' ' A' ' 59' ' ' THR . 7.9 m-20 -119.18 97.31 5.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.296 0.569 . . . . 74.430000000000007 111.328 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.746 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 26.4 mmmt -130.14 143.95 51.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.388 -0.824 . . . . 74.120000000000005 110.014 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -81.57 105.5 12.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.485 0.659 . . . . 63.310000000000002 110.374 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD22 ' HB1' ' A' ' 68' ' ' ALA . 61.7 tp -89.37 -29.62 18.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.499 -0.773 . . . . 73.430000000000007 110.138 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.755 HD11 HG11 ' A' ' 35' ' ' VAL . 54.5 mt -126.1 148.84 49.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.543 -0.753 . . . . 52.409999999999997 109.744 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 7.7 mmpt? -113.76 116.77 29.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.553 -0.294 . . . . 74.109999999999999 110.537 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.31 62.56 6.16 Favored Glycine 0 N--CA 1.451 -0.347 0 O-C-N 123.707 0.629 . . . . 73.129999999999995 113.4 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' CD2' HD13 ' A' ' 24' ' ' LEU . 16.8 tp -121.56 153.73 37.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.887 -0.412 . . . . 43.119999999999997 109.887 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 14.0 t70 -101.33 160.45 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 62.530000000000001 109.745 177.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.37 -28.86 69.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.593 -0.276 . . . . 74.519999999999996 110.988 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.806 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 8.2 pt-20 -57.92 -42.62 85.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.26 0.552 . . . . 62.329999999999998 111.046 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.806 ' HG3' ' HG3' ' A' ' 30' ' ' GLU . 68.2 mt-30 -87.17 -20.97 26.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.696 -0.683 . . . . 62.409999999999997 110.922 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.33 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 74.430000000000007 111.286 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -53.59 -38.87 64.37 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.904 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -74.6 -33.59 62.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 71.400000000000006 110.659 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.755 HG11 HD11 ' A' ' 24' ' ' LEU . 94.8 t -75.81 -50.4 23.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 54.32 111.023 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HB ' HD11 ' A' ' 58' ' ' ILE . 15.2 tt -59.8 -25.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.827 0.346 . . . . 64.420000000000002 111.27 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.37 86.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.023 -0.535 . . . . 52.420000000000002 111.461 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 35' ' ' VAL . 6.2 p -74.17 -28.31 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.8 0.333 . . . . 53.009999999999998 110.628 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.1 mm? -75.78 -55.03 6.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.715 0.293 . . . . 72.219999999999999 110.354 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.77 -39.04 87.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 75.450000000000003 111.173 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.06 -41.1 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.969 0.414 . . . . 64.310000000000002 110.522 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -82.2 0.79 39.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 72.420000000000002 111.74 -176.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 66.1 24.52 10.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 54.420000000000002 112.088 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 tt -91.01 133.12 33.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.942 -0.762 . . . . 72.340000000000003 108.942 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.92 112.03 2.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 61.409999999999997 111.158 -175.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.34 132.54 54.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.987 -0.551 . . . . 70.450000000000003 110.621 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -127.38 174.35 9.06 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.348 -0.612 . . . . 74.430000000000007 109.348 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 130.9 52.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.483 0.183 . . . . 74.420000000000002 110.549 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.09 89.81 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.43 -0.582 . . . . 71.129999999999995 109.43 168.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -78.16 108.92 11.82 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.654 -0.703 . . . . 74.140000000000001 110.553 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -154.88 128.88 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.687 -0.688 . . . . 53.210000000000001 109.469 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.1 83.76 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.572 -0.823 . . . . 64.109999999999999 112.771 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.951 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -79.26 -9.76 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 73.409999999999997 110.797 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -109.24 -44.01 4.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.297 0.57 . . . . 71.099999999999994 110.087 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.09 -128.84 9.59 Favored Glycine 0 N--CA 1.443 -0.888 0 N-CA-C 110.395 -1.082 . . . . 73.030000000000001 110.395 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -134.76 118.86 17.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.215 0.531 . . . . 73.349999999999994 110.013 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 50.3 m -142.52 171.78 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.628 -0.715 . . . . 61.420000000000002 110.316 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.527 HG21 ' HG ' ' A' ' 39' ' ' LEU . 35.7 mm -91.02 129.36 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.026 -0.534 . . . . 65.209999999999994 110.885 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 20' ' ' ASP . 10.4 t -126.46 131.33 51.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.462 -0.57 . . . . 63.350000000000001 109.462 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.6 173.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.053 -0.521 . . . . 63.009999999999998 109.831 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.75 130.71 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.304 -0.628 . . . . 64.209999999999994 109.304 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.746 ' HG2' ' HG2' ' A' ' 21' ' ' LYS . 40.1 mt-10 -58.97 -39.19 72.27 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.343 0.868 . . . . 71.209999999999994 113.343 -171.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 11.2 Cg_endo -57.51 -35.85 98.78 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.588 1.525 . . . . 72.109999999999999 112.304 171.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.86 0.81 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 111.536 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.94 -29.91 70.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.82 0.343 . . . . 75.230000000000004 110.817 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 t -63.54 -27.55 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 73.209999999999994 110.878 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.17 -43.24 29.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.8 -0.444 . . . . 62.229999999999997 109.8 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.23 -47.96 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.841 -0.618 . . . . 75.439999999999998 110.814 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.98 -40.28 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 60.509999999999998 111.074 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -68.77 -37.86 79.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 64.450000000000003 111.076 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.4 m95 -67.28 -44.31 79.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 74.040000000000006 110.452 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 68' ' ' ALA . 39.5 mm -70.89 -23.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 64.439999999999998 110.548 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -66.95 -18.59 65.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.245 0.545 . . . . 70.129999999999995 110.317 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -93.04 -8.29 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.43 0.633 . . . . 73.209999999999994 110.202 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -93.86 105.13 17.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 73.230000000000004 110.274 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.821 -0.609 . . . . 71.430000000000007 110.493 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 34.2 mtmm . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.695 -0.483 . . . . 61.329999999999998 109.695 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 p30 46.01 45.02 12.04 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.108 0.963 . . . . 64.329999999999998 113.099 175.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 44.6 mmtm -121.26 135.42 55.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.143 -0.348 . . . . 72.129999999999995 111.04 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.11 105.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.49 -0.777 . . . . 71.0 111.093 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 tp -83.52 -40.18 19.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.25 0.548 . . . . 61.229999999999997 110.227 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 35' ' ' VAL . 66.9 mt -124.75 145.71 49.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.68 . . . . 74.209999999999994 110.201 -176.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -118.85 116.2 26.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.714 0.292 . . . . 73.049999999999997 110.788 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.72 46.12 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.722 -0.751 . . . . 71.209999999999994 113.325 174.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.571 HD22 HD13 ' A' ' 24' ' ' LEU . 7.4 mp -68.0 141.92 56.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.044 0.422 . . . . 75.409999999999997 110.651 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.68 178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.986 -0.552 . . . . 70.420000000000002 110.116 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.3 -44.3 95.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 74.200000000000003 110.474 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.44 -29.16 70.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.326 -0.852 . . . . 64.430000000000007 111.675 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -86.7 -27.95 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.14 0.495 . . . . 74.140000000000001 110.663 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.42 65.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 61.229999999999997 111.607 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -51.59 -43.49 62.49 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.084 -0.507 . . . . 73.540000000000006 111.527 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.69 -35.7 72.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.226 0.536 . . . . 72.230000000000004 110.52 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 24' ' ' LEU . 91.6 t -70.53 -45.95 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.586 -0.734 . . . . 73.230000000000004 111.209 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 tt -70.57 -26.12 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.73 -0.388 . . . . 75.209999999999994 110.594 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 41' ' ' MET . . . -66.82 -53.13 35.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.475 -0.33 . . . . 73.310000000000002 110.972 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.09 -28.7 45.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.094 0.473 . . . . 61.100000000000001 110.294 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.597 ' HG ' ' CG2' ' A' ' 44' ' ' ILE . 9.2 tp -69.47 -49.22 56.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 74.400000000000006 109.914 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -60.55 -29.13 68.96 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.857 -0.61 . . . . 73.140000000000001 110.977 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 37' ' ' ALA . 91.2 mtp -62.18 -18.51 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 70.409999999999997 111.368 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -104.51 5.9 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.625 -0.261 . . . . 72.040000000000006 110.913 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.74 24.71 13.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.103 0.561 . . . . 62.130000000000003 111.731 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.692 HD11 ' HB3' ' A' ' 64' ' ' ASP . 11.1 tt -88.3 150.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.63 -0.507 . . . . 73.540000000000006 109.63 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.5 tp10 -55.5 143.88 27.88 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 73.310000000000002 110.99 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.01 121.65 18.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 110.914 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.464 ' HB3' HG23 ' A' ' 59' ' ' THR . 17.9 t-20 -132.33 134.66 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 109.909 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 1.8 mppt? -92.02 122.76 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.761 -0.375 . . . . 73.150000000000006 110.695 -177.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.494 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.3 pt -112.56 111.53 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.924 0.392 . . . . 44.310000000000002 110.165 173.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -107.78 140.53 40.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.086 -0.507 . . . . 75.310000000000002 109.96 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 75.6 m -160.53 146.58 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.839 -0.619 . . . . 74.019999999999996 109.879 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.11 -24.89 65.65 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 121.09 -0.576 . . . . 53.32 112.556 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -10.44 40.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 61.439999999999998 111.16 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.517 HD21 ' OG ' ' A' ' 57' ' ' SER . 7.6 tt -114.88 -49.91 2.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.84 -0.618 . . . . 71.340000000000003 111.336 -170.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.44 -125.04 8.38 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.901 -1.28 . . . . 71.329999999999998 109.901 -167.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -130.39 119.17 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.026 0.441 . . . . 52.439999999999998 110.603 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.517 ' OG ' HD21 ' A' ' 54' ' ' LEU . 35.5 m -123.31 163.49 20.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.099 0.476 . . . . 65.519999999999996 110.913 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.2 mm -109.07 100.86 11.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.458 -0.792 . . . . 62.210000000000001 109.061 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.494 ' HB ' HD13 ' A' ' 49' ' ' ILE . 10.2 t -87.65 143.0 27.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 42.140000000000001 109.8 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 45' ' ' GLU . 35.9 m -121.51 174.09 6.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 115.822 -0.626 . . . . 73.430000000000007 109.98 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -68.3 170.31 8.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 61.350000000000001 110.962 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 18.9 mp0 -54.92 -55.63 36.64 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.027 -0.533 . . . . 73.319999999999993 112.261 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 53.7 Cg_endo -70.69 -17.2 33.53 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.815 1.677 . . . . 74.329999999999998 112.733 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.692 ' HB3' HD11 ' A' ' 44' ' ' ILE . 9.1 m-20 -90.01 -11.33 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.488 -0.324 . . . . 73.230000000000004 111.23 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -57.94 -46.16 85.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.426 -0.352 . . . . 73.109999999999999 111.473 -174.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -66.19 -29.39 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.878 0.371 . . . . 44.409999999999997 111.236 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.76 57.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 52.229999999999997 110.444 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.38 -46.9 66.42 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.096 -0.502 . . . . 74.120000000000005 111.157 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.61 -39.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 73.510000000000005 111.154 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.65 -42.69 91.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.231 -0.441 . . . . 74.319999999999993 110.476 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.93 -47.12 78.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 64.25 110.527 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.668 HD12 HG13 ' A' ' 35' ' ' VAL . 30.1 mm -69.5 -28.68 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.049999999999997 110.936 -176.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.89 -28.41 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 72.340000000000003 110.612 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.4 m -71.61 -22.97 61.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.476 . . . . 74.510000000000005 110.881 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -85.19 -41.68 15.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 72.219999999999999 110.993 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.426 -0.797 . . . . 73.239999999999995 110.635 -174.634 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.18 -0.304 . . . . 71.219999999999999 110.18 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -82.46 125.04 30.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.274 0.559 . . . . 75.450000000000003 110.754 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -152.75 114.76 4.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.819 -1.178 . . . . 72.230000000000004 107.819 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.18 104.34 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.965 0.888 . . . . 61.130000000000003 110.955 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.43 -53.68 7.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.427 -1.261 . . . . 62.549999999999997 110.754 -177.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 35' ' ' VAL . 78.1 mt -93.18 -177.59 4.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.635 -0.711 . . . . 73.439999999999998 109.765 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -168.54 117.12 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.431 0.457 . . . . 63.210000000000001 110.324 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.06 9.6 56.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.573 -0.823 . . . . 72.329999999999998 113.31 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 24' ' ' LEU . 6.9 mp -106.28 148.83 27.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.692 0.246 . . . . 74.120000000000005 110.46 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.81 176.5 5.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.329 -0.619 . . . . 75.299999999999997 109.329 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -65.65 -35.12 79.88 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 122.46 0.304 . . . . 71.450000000000003 111.549 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -57.04 -43.23 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.530000000000001 111.667 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -86.58 -25.12 25.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.963 0.411 . . . . 74.430000000000007 110.588 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -20.08 65.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 60.43 110.601 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.97 -41.35 87.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 73.450000000000003 110.334 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.54 -38.8 85.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.262 0.553 . . . . 72.150000000000006 110.701 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 38' ' ' VAL . 80.8 t -72.37 -51.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.064 -0.971 . . . . 72.040000000000006 111.336 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 tt -70.62 -20.75 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.674 -0.41 . . . . 75.140000000000001 111.095 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.26 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.44 -0.346 . . . . 74.540000000000006 110.845 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.7 p -70.4 -30.23 42.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 64.310000000000002 110.476 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 58' ' ' ILE . 10.3 mp -70.23 -50.47 39.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 74.129999999999995 110.781 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.43 -36.1 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.054 -0.521 . . . . 75.25 110.807 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.88 -40.02 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 62.509999999999998 111.157 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -84.63 -2.22 57.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 74.430000000000007 111.12 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.6 t30 61.76 55.09 2.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.424 0.631 . . . . 72.010000000000005 110.997 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 39' ' ' LEU . 15.8 tt -103.73 149.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.917 -0.583 . . . . 72.219999999999999 109.608 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.04 101.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 71.409999999999997 109.644 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.77 141.91 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.815 -0.629 . . . . 55.140000000000001 110.8 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.556 ' HB3' HG23 ' A' ' 59' ' ' THR . 13.0 t-20 -126.56 154.91 43.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.613 . . . . 64.049999999999997 109.583 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -97.47 123.08 41.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.691 0.281 . . . . 60.409999999999997 111.205 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.63 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.0 pt -116.46 114.06 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 72.030000000000001 111.479 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -109.8 133.47 53.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 73.219999999999999 109.83 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -158.15 153.46 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.323 -0.251 . . . . 65.530000000000001 110.323 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.94 98.64 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.129 -0.558 . . . . 61.340000000000003 112.9 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -65.47 -25.1 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 73.239999999999995 110.716 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 57' ' ' SER . 34.4 tp -102.15 -49.14 4.0 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.727 0.639 . . . . 71.349999999999994 112.727 -165.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.68 -108.9 3.61 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.201 -1.159 . . . . 63.539999999999999 110.201 -170.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -128.54 126.45 40.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.83 0.347 . . . . 53.119999999999997 110.604 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.702 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.9 m -149.81 170.33 19.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.186 -0.461 . . . . 71.299999999999997 110.629 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.538 HG21 HD22 ' A' ' 39' ' ' LEU . 5.8 mm -112.21 141.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.441 -0.577 . . . . 75.519999999999996 109.441 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.63 ' HB ' HD13 ' A' ' 49' ' ' ILE . 14.8 t -126.74 156.99 40.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.098 -0.334 . . . . 74.310000000000002 110.098 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.2 m -141.61 173.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.401 -0.592 . . . . 65.409999999999997 109.401 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.33 138.31 32.98 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.669 -0.493 . . . . 75.239999999999995 109.669 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.5 tt0 -58.14 -47.21 99.25 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.502 0.556 . . . . 75.329999999999998 112.502 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 31.9 Cg_exo -61.88 -14.04 34.43 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.1 1.867 . . . . 72.310000000000002 112.841 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.21 3.5 25.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.813 0.34 . . . . 73.349999999999994 110.795 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.5 -30.71 71.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 75.319999999999993 110.235 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -62.6 -28.66 70.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 64.409999999999997 110.977 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.98 62.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.489 -0.323 . . . . 65.049999999999997 110.264 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.58 -41.81 70.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.925 -0.579 . . . . 73.010000000000005 110.61 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.75 -42.72 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.66 . . . . 73.530000000000001 110.944 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -61.27 -42.03 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 61.310000000000002 111.034 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -64.21 -48.34 76.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 73.219999999999999 110.62 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 68' ' ' ALA . 25.6 mm -71.35 -23.98 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 111.402 -174.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -61.41 -20.68 63.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.063 0.458 . . . . 74.120000000000005 110.615 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -72.47 -19.69 61.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 73.209999999999994 110.85 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -83.25 113.1 20.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.461 . . . . 64.439999999999998 110.603 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.414 -0.803 . . . . 74.230000000000004 110.485 -178.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.297 0.57 . . . . 72.33 110.643 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 4.9 mmmp? -136.4 146.78 46.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.346 0.593 . . . . 63.32 111.039 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.63 109.1 4.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 73.31 110.54 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -93.77 -27.61 16.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 72.31 109.512 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD11 HG21 ' A' ' 35' ' ' VAL . 57.0 mt -138.12 172.14 13.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.413 -0.812 . . . . 72.14 109.52 -176.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -137.73 114.61 10.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.735 0.302 . . . . 74.43 110.518 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.29 28.53 73.67 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 116.051 -0.522 . . . . 50.43 113.836 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 24' ' ' LEU . 8.9 mp -92.8 111.78 23.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.587 0.693 . . . . 75.12 109.479 173.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.33 178.0 4.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.473 -0.33 . . . . 74.34 110.424 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.77 -36.21 74.02 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.103 0.408 . . . . 75.04 112.103 -170.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -65.36 -37.4 86.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 74.13 110.856 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -83.97 -34.75 24.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.568 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -20.13 65.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.867 -0.606 . . . . 63.43 110.964 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' HG22 ' A' ' 36' ' ' ILE . 2.7 t-20 -60.52 -31.64 70.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.138 -0.483 . . . . 71.35 110.351 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -62.69 -47.91 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.367 0.603 . . . . 71.54 110.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 24' ' ' LEU . 84.5 t -73.44 -45.05 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 54.22 111.492 -174.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 33' ' ' ASN . 9.9 tp -62.78 -30.68 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 75.35 110.262 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.88 -51.22 58.02 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.282 -0.417 . . . . 53.35 111.497 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG13 HD22 ' A' ' 39' ' ' LEU . 14.9 p -63.46 -33.08 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.682 0.277 . . . . 74.44 110.892 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.532 HD22 HG13 ' A' ' 38' ' ' VAL . 4.3 mm? -70.83 -52.5 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 54.53 110.556 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.28 -34.08 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 72.33 111.131 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 tpt -56.88 -33.98 67.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.14 111.53 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.518 ' HD2' ' O ' ' A' ' 38' ' ' VAL . 87.1 m-70 -94.44 7.62 44.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.706 -0.225 . . . . 73.21 111.08 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 58.47 55.7 4.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.401 0.619 . . . . 65.21 111.07 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 64' ' ' ASP . 12.9 tt -120.61 151.33 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.469 -0.567 . . . . 71.15 109.469 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.57 98.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.388 0.43 . . . . 70.25 110.507 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.35 115.98 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.085 -0.507 . . . . 74.12 110.229 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -117.03 132.96 56.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.789 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -89.77 118.8 29.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 63.33 110.186 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.518 HD13 ' HB ' ' A' ' 59' ' ' THR . 26.2 pt -113.89 135.27 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 71.43 111.896 -175.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 5.3 p-10 -109.95 139.96 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 73.21 110.076 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 66.8 m -158.41 169.8 23.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.994 -0.373 . . . . 54.04 109.994 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.67 -49.58 23.47 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.045 -0.598 . . . . 72.53 113.697 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.247 0.546 . . . . 61.41 110.707 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 6.1 tt -105.95 -40.48 5.68 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.507 -0.77 . . . . 65.43 111.61 -170.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 81.26 -111.23 3.27 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.85 -0.9 . . . . 72.3 110.85 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 20.6 m-85 -119.68 131.53 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.926 0.393 . . . . 73.31 110.115 172.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.448 ' HB2' HD21 ' A' ' 54' ' ' LEU . 66.5 m -150.0 174.24 12.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.792 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.522 HD12 HD13 ' A' ' 36' ' ' ILE . 25.4 mm -116.94 124.72 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.768 -0.651 . . . . 70.03 109.903 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.518 ' HB ' HD13 ' A' ' 49' ' ' ILE . 5.5 t -114.86 162.19 17.23 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.957 -0.757 . . . . 63.15 108.957 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.43 174.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.626 -0.261 . . . . 72.23 110.552 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.82 137.44 12.51 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.581 0.551 . . . . 75.03 110.012 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.533 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 22.1 tt0 -55.0 -48.21 96.57 Favored Pre-proline 0 CA--C 1.545 0.759 0 N-CA-C 112.862 0.69 . . . . 74.41 112.862 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.0 Cg_exo -67.95 -22.08 42.61 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.957 1.772 . . . . 73.5 112.199 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 44' ' ' ILE . 13.2 m-20 -89.77 11.79 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 75.23 111.316 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -50.67 -41.73 55.89 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.959 -0.564 . . . . 63.43 111.592 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 2.4 t -61.1 -36.21 79.07 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 63.14 111.708 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.37 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.592 0.234 . . . . 60.15 111.026 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.31 -56.24 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.738 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG12 ' HE2' ' A' ' 73' ' ' LYS . 28.5 t -63.27 -32.33 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.622 -0.717 . . . . 74.52 110.662 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' THR . 7.1 t80 -65.7 -41.48 92.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 62.45 110.91 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 74' ' ' THR . 5.3 m95 -74.03 -23.39 59.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 72.01 111.218 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 68' ' ' ALA . 42.3 mm -82.43 -11.92 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.514 . . . . 75.41 110.641 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.543 ' HE2' HG12 ' A' ' 69' ' ' VAL . 74.7 mmtt -63.63 -25.23 68.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.215 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 71' ' ' TRP . 14.4 t -88.56 -2.25 58.49 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.971 0.415 . . . . 72.43 110.616 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.238 0.542 . . . . 70.51 110.315 -179.849 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.72 0.295 . . . . 73.53 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HE3' ' OE2' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -119.69 126.43 51.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.095 0.474 . . . . 74.45 110.874 178.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.16 112.78 15.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 63.24 111.37 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.654 HD21 ' HB1' ' A' ' 68' ' ' ALA . 9.0 mp -111.65 -63.92 1.35 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.838 0.351 . . . . 52.43 111.931 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' A' ' 27' ' ' LEU . 58.9 mt -99.03 174.76 6.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 71.01 110.391 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -143.42 115.29 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 62.24 110.295 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.48 2.33 90.46 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.817 -0.706 . . . . 73.32 114.01 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 24' ' ' LEU . 7.7 mp -85.03 92.7 8.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.469 0.635 . . . . 65.43 110.438 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 18.2 t70 -63.22 167.38 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 64.33 110.033 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -53.0 -34.99 58.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.209 0.448 . . . . 64.11 112.209 -172.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.62 -34.49 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.641 0.258 . . . . 71.24 111.175 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -86.82 -38.1 17.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.358 0.599 . . . . 73.02 109.72 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.67 64.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.212 -0.904 . . . . 45.0 111.514 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -46.23 -45.41 16.98 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.665 0.603 . . . . 61.32 111.559 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.68 -41.81 95.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.195 0.521 . . . . 72.43 110.51 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 38' ' ' VAL . 58.4 t -65.95 -52.04 53.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.788 -0.642 . . . . 74.31 111.688 -177.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 tt -63.93 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.1 0.476 . . . . 65.23 110.887 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 54.53 111.614 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.9 p -71.3 -32.76 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.731 -0.388 . . . . 63.33 110.506 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.59 -50.63 64.39 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.725 -0.472 . . . . 72.44 109.725 175.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.83 -41.13 95.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 71.42 111.301 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -63.2 -38.48 91.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 62.11 111.184 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -87.34 7.4 29.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.613 -0.267 . . . . 71.55 111.287 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 31.59 20.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.376 0.608 . . . . 64.23 111.384 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 tt -104.26 132.53 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.226 -0.657 . . . . 65.25 109.226 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.88 134.12 49.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.353 0.597 . . . . 65.11 111.627 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.94 148.99 50.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.127 -0.942 . . . . 31.31 110.08 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -128.72 172.36 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.278 -0.419 . . . . 71.15 110.485 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -101.81 132.55 47.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 43.12 110.714 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 59' ' ' THR . 3.0 pt -116.53 120.9 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.974 0.416 . . . . 74.12 111.453 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -103.06 128.91 49.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.76 -0.655 . . . . 63.4 110.244 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.512 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 42.5 m -151.97 153.49 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.512 -0.551 . . . . 63.03 109.512 176.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.81 -49.53 70.08 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.457 0.543 . . . . 51.35 114.457 -172.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -91.5 -11.0 38.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.695 0.748 . . . . 60.22 110.631 -178.032 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.512 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 36.8 tp -81.47 -48.56 11.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 33.11 110.822 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.17 -86.57 1.2 Allowed Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.536 -0.756 . . . . 40.42 111.602 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.608 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -139.78 127.53 21.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.665 0.269 . . . . 75.24 110.565 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.9 m -151.81 166.5 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.493 -0.322 . . . . 70.52 110.745 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.402 HG13 HG12 ' A' ' 35' ' ' VAL . 20.7 mm -99.35 127.75 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.009 -0.541 . . . . 73.43 109.751 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.484 HG21 HG23 ' A' ' 49' ' ' ILE . 13.3 t -114.28 158.99 20.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.916 0.389 . . . . 34.45 110.099 177.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 68' ' ' ALA . 26.8 m -137.18 175.79 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.732 -0.667 . . . . 75.43 109.555 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.0 147.17 0.52 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.8 0.688 . . . . 63.13 111.141 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 21.3 tp10 -50.46 -54.17 37.83 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.881 0.697 . . . . 72.41 112.881 -169.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -85.44 -4.28 9.31 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.424 2.083 . . . . 52.53 113.298 -176.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.81 24.68 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.884 0.373 . . . . 64.21 111.567 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' HB2' ' HG2' ' A' ' 21' ' ' LYS . 79.3 t80 -60.92 -36.43 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 61.24 110.25 176.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -59.27 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 64.12 110.777 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.0 78.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.895 -0.593 . . . . 62.2 110.69 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.654 ' HB1' HD21 ' A' ' 23' ' ' LEU . . . -55.53 -49.48 72.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.593 . . . . 65.32 111.271 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 65' ' ' PHE . 84.1 t -63.71 -36.14 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 63.43 111.226 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.3 -37.12 84.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.57 -0.286 . . . . 64.54 110.558 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.418 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.6 m95 -70.63 -29.49 65.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.019 0.438 . . . . 73.21 110.35 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -74.34 -31.0 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.189 0.519 . . . . 74.25 109.815 174.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.31 -35.8 81.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.24 110.4 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.3 p -75.63 -5.48 45.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.903 0.382 . . . . 74.1 111.605 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.055 0.455 . . . . 73.15 110.618 176.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.123 0.487 . . . . 73.44 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -75.44 120.69 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.957 -0.565 . . . . 63.23 110.102 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.527 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 15.4 p-10 -79.01 105.96 10.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.742 0.782 . . . . 62.11 110.912 -177.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 tp -79.75 -22.82 42.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.62 -1.173 . . . . 74.45 110.213 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 35' ' ' VAL . 46.7 mt -135.13 160.51 38.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.56 -0.904 . . . . 54.22 108.56 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HE2' ' OD2' ' A' ' 22' ' ' ASP . 86.4 mttt -136.54 116.7 13.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.583 -0.447 . . . . 72.23 111.455 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.64 3.9 87.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.668 -0.696 . . . . 72.24 112.863 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 24' ' ' LEU . 16.2 tp -77.84 135.74 37.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.302 -0.258 . . . . 65.24 110.302 -177.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.528 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 13.8 t70 -80.09 157.51 26.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.293 -0.412 . . . . 74.05 109.921 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.79 -32.53 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.539 -0.3 . . . . 72.44 111.28 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 11.6 pt-20 -67.19 -31.78 72.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.173 0.511 . . . . 71.23 110.699 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -86.69 -26.85 24.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 71.15 110.08 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.85 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.646 -0.706 . . . . 50.54 111.222 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' HA ' HG22 ' A' ' 36' ' ' ILE . 21.7 t-20 -59.23 -39.6 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.345 . . . . 74.32 110.677 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.51 -29.31 67.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.46 . . . . 73.33 110.498 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 24' ' ' LEU . 96.7 t -76.97 -50.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 71.31 110.708 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.9 tt -62.61 -22.6 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 71.43 110.505 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.03 79.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 51.04 111.541 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 35' ' ' VAL . 6.3 p -71.29 -29.21 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 121.032 0.444 . . . . 75.01 110.444 -177.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 36' ' ' ILE . 3.0 mm? -75.71 -48.42 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 74.04 110.035 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.49 -37.86 88.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 73.32 111.055 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.54 -34.98 76.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.258 -0.428 . . . . 42.22 111.07 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -92.06 3.12 55.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 72.04 111.193 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 60.05 38.39 20.62 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.147 -0.478 . . . . 70.35 111.845 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.0 tt -99.22 150.2 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.673 -0.492 . . . . 73.54 109.673 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.88 111.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 73.34 110.763 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.9 113.98 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.925 0.393 . . . . 64.22 110.605 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.92 149.81 27.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.361 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -97.63 137.29 36.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.686 0.279 . . . . 72.14 110.294 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.835 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -117.72 130.59 72.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.279 -0.419 . . . . 63.33 110.854 178.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.76 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 53.3 111.258 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 55.8 m -158.14 157.61 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.69 -0.485 . . . . 75.32 109.69 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.07 67.25 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.934 -0.651 . . . . 75.11 112.375 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -9.65 46.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.117 0.484 . . . . 71.01 111.079 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.639 HD11 HD12 ' A' ' 49' ' ' ILE . 9.8 tt -113.9 -51.87 2.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.705 -0.679 . . . . 65.14 111.713 -166.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -113.32 3.84 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.624 -0.99 . . . . 74.12 110.624 -173.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -128.01 120.42 27.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.865 0.364 . . . . 74.22 110.129 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.446 ' HA ' HD12 ' A' ' 24' ' ' LEU . 62.2 m -136.58 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.131 0.491 . . . . 72.05 111.044 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mm -109.19 109.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.078 -0.965 . . . . 71.14 109.606 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.835 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.0 t -99.16 142.25 30.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.219 0.533 . . . . 61.22 110.132 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.07 173.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.426 -0.806 . . . . 61.23 109.237 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.99 144.09 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.275 0.36 . . . . 62.42 110.398 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 14.0 mp0 -53.69 -47.58 96.15 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.009 -0.541 . . . . 73.22 112.363 -176.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 16.7 Cg_endo -58.83 -39.81 78.14 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.934 1.756 . . . . 63.52 112.702 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.62 0.14 56.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.477 -0.329 . . . . 52.34 111.437 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.8 t80 -61.92 -31.53 71.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.658 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 5.4 t -59.84 -39.8 86.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 42.11 110.873 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.61 97.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.344 -0.389 . . . . 64.02 110.438 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.26 -39.46 82.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.942 -0.572 . . . . 62.05 110.636 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' PHE . 72.1 t -61.06 -44.07 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 72.11 110.62 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 66' ' ' THR . 53.9 m-85 -61.84 -41.08 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 74.04 111.052 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.402 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.6 m95 -62.25 -45.65 92.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.753 0.311 . . . . 75.4 110.703 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' ALA . 40.4 mm -68.55 -34.26 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 64.43 110.499 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 55.1 mmtt -64.98 -16.8 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 44.22 111.307 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m -90.01 -20.53 23.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.246 0.546 . . . . 71.04 110.299 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.1 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.13 176.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.711 0.291 . . . . 72.34 111.19 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.2 117.09 29.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.987 0.422 . . . . 72.1 111.568 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.86 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 1.8 m-20 -60.86 105.83 0.51 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.466 -0.788 . . . . 74.03 110.676 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -90.23 -62.45 1.46 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.331 0.586 . . . . 61.32 109.878 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 HD22 ' A' ' 27' ' ' LEU . 34.8 mt -112.16 138.55 48.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.532 -0.758 . . . . 73.41 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.86 ' HD2' ' HB3' ' A' ' 22' ' ' ASP . 3.7 mppt? -124.83 116.89 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.647 0.26 . . . . 63.54 110.862 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.92 8.42 51.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.845 -0.693 . . . . 65.52 112.895 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.524 HD22 HD13 ' A' ' 24' ' ' LEU . 7.5 mp -102.36 131.06 49.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 74.3 111.0 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -82.53 170.99 14.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.111 -0.7 . . . . 44.42 109.111 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.986 0.365 . . . . 74.45 111.986 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.823 0.344 . . . . 63.23 111.121 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -86.12 -41.23 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 70.1 109.721 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.98 -18.46 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.459 -0.791 . . . . 71.21 110.713 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' HG22 ' A' ' 36' ' ' ILE . 24.4 t-20 -51.65 -39.02 57.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.783 -0.644 . . . . 74.13 110.877 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.48 -35.79 70.65 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.628 -0.715 . . . . 73.34 111.005 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.452 HG11 HD11 ' A' ' 24' ' ' LEU . 88.1 t -87.64 -49.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.387 -0.824 . . . . 61.31 111.511 -174.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 33' ' ' ASN . 13.5 tt -57.36 -33.62 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.803 0.335 . . . . 74.25 111.389 -175.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.16 81.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 63.14 110.775 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -62.82 -46.8 95.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.76 -0.655 . . . . 63.5 111.098 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.3 mm? -63.71 -47.85 79.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.09 -0.505 . . . . 72.2 110.702 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 45.8 mt-30 -63.98 -32.13 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 54.24 110.556 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -64.55 -29.96 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 72.4 111.128 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -97.48 6.13 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.352 -0.385 . . . . 74.01 111.313 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t30 54.2 43.18 30.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.639 -0.71 . . . . 70.31 110.759 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.441 HG21 HD12 ' A' ' 39' ' ' LEU . 12.5 tt -102.96 138.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.798 -0.816 . . . . 65.13 108.798 174.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.27 109.0 2.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.056 -0.52 . . . . 60.23 111.495 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB1' HG23 ' A' ' 58' ' ' ILE . . . -104.52 131.01 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.863 -0.608 . . . . 70.44 110.917 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.563 ' HB2' HG23 ' A' ' 59' ' ' THR . 41.4 m-80 -111.51 154.61 24.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 43.21 109.577 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -100.9 113.88 27.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.816 0.341 . . . . 60.12 110.789 -172.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.65 HD13 ' HB ' ' A' ' 59' ' ' THR . 11.4 pt -115.59 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 74.33 111.052 177.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.64 141.45 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.348 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.436 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 70.2 m -162.22 165.35 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.995 -0.372 . . . . 72.43 109.995 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.37 -43.06 71.82 Favored Glycine 0 C--O 1.23 -0.139 0 C-N-CA 120.729 -0.748 . . . . 75.2 111.851 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -70.31 -15.04 62.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.14 0.495 . . . . 64.23 111.369 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 28.7 tp -113.93 -47.19 2.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.817 -0.628 . . . . 75.01 112.102 -164.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.76 -122.57 6.58 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.854 -1.298 . . . . 73.12 109.854 -169.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.03 118.36 26.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.236 -0.653 . . . . 73.31 109.236 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.64 164.2 18.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 72.4 111.594 -172.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 39' ' ' LEU . 37.6 mm -106.93 103.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.416 -0.811 . . . . 74.43 109.868 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.65 ' HB ' HD13 ' A' ' 49' ' ' ILE . 13.2 t -99.2 134.07 42.59 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.231 -0.655 . . . . 75.42 109.231 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -113.76 175.86 2.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.496 -0.557 . . . . 75.41 109.496 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 64' ' ' ASP . . . -44.39 137.89 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.739 0.649 . . . . 72.22 110.664 176.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.573 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.9 tp10 -52.17 -52.6 60.85 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.534 0.568 . . . . 74.15 112.534 -170.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 11.8 Cg_exo -72.46 -19.34 25.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.958 1.772 . . . . 64.24 112.163 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . 14.0 m-20 -90.48 2.14 56.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 71.21 111.209 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -60.65 -27.92 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.413 . . . . 70.21 110.129 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.411 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 3.8 t -56.05 -41.32 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.633 -0.712 . . . . 74.21 110.875 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.3 69.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 63.31 110.825 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.46 -46.16 66.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.879 -0.6 . . . . 73.15 111.386 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.25 -42.29 86.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.212 -0.449 . . . . 75.51 111.39 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.411 ' HD2' ' O ' ' A' ' 66' ' ' THR . 60.7 m-85 -77.19 -22.34 52.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.33 -0.395 . . . . 75.51 112.035 -176.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.439 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 1.6 m95 -70.59 -33.53 71.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.694 -0.484 . . . . 74.02 109.694 174.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 68' ' ' ALA . 26.2 mm -67.87 -25.35 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.357 0.598 . . . . 55.21 109.827 176.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 70' ' ' TYR . 74.0 mmtt -65.53 -16.7 63.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.587 -0.733 . . . . 75.5 111.32 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -89.76 -4.3 57.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.507 . . . . 74.42 110.593 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 121.279 0.562 . . . . 65.11 109.702 177.229 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 121.428 0.632 . . . . 72.33 110.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.78 123.62 38.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.336 -0.616 . . . . 74.34 109.336 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -74.67 104.46 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.599 -0.519 . . . . 72.22 109.599 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -96.4 -31.49 12.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.033 -0.531 . . . . 74.21 110.395 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 35' ' ' VAL . 47.3 mt -128.0 162.38 26.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.53 -0.915 . . . . 51.0 108.53 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -135.43 115.79 13.54 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.704 -0.398 . . . . 71.34 111.412 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.09 10.03 86.52 Favored Glycine 0 CA--C 1.52 0.369 0 CA-C-N 115.97 -0.559 . . . . 73.24 114.188 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD22 HD13 ' A' ' 24' ' ' LEU . 9.5 mp -78.45 155.75 29.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.412 0.625 . . . . 71.3 111.813 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -98.63 170.62 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.237 -0.892 . . . . 63.13 110.538 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -46.16 71.16 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.559 0.743 . . . . 73.43 112.04 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.66 -29.87 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.317 . . . . 72.12 111.267 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.43 -41.09 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.368 0.604 . . . . 75.44 109.756 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.64 -20.67 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.504 -0.771 . . . . 64.21 110.801 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.61 -43.98 96.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 74.43 110.392 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.51 -40.96 93.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 62.51 110.286 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 24' ' ' LEU . 45.9 t -65.37 -49.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 72.34 111.254 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.3 tt -63.25 -29.32 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.703 -0.226 . . . . 74.43 110.808 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.013 0.435 . . . . 42.33 110.135 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.01 -43.48 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 75.13 110.48 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.74 -45.96 73.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 54.45 110.577 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.77 -41.58 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 63.12 111.595 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ptp -70.74 -13.49 62.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 71.12 110.667 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -97.24 1.2 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.452 -0.34 . . . . 75.24 110.124 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 61.15 28.19 17.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 73.21 111.947 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.5 tt -97.19 149.42 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 74.04 110.224 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.38 104.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 71.13 110.47 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.51 129.01 56.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 51.21 110.925 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -116.92 151.17 37.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 64.42 109.743 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.29 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.395 -0.366 . . . . 73.05 110.202 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 pt -96.87 116.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.347 0.594 . . . . 64.13 111.026 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.99 104.51 13.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.236 -0.893 . . . . 71.12 109.743 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -142.84 142.99 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 73.23 110.379 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.03 -29.72 75.24 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.3 -0.476 . . . . 44.43 113.152 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 54' ' ' LEU . 44.3 pttt -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 74.41 111.499 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 16.1 tp -113.63 -30.92 6.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 53.01 112.113 -165.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.93 -117.51 5.61 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.541 -0.838 . . . . 74.03 111.074 -175.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -122.89 121.6 36.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 72.44 110.049 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 24' ' ' LEU . 51.1 m -149.47 166.67 28.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.01 0.433 . . . . 73.25 111.056 -178.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.2 mm -99.41 152.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.67 . . . . 72.21 109.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 t -145.16 162.62 36.63 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.005 -0.739 . . . . 60.2 109.005 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 m -125.98 173.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.604 0.24 . . . . 51.24 110.542 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 169.19 6.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.031 -0.532 . . . . 62.42 110.573 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 1.5 mp0 -57.01 -54.07 58.48 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 112.447 0.536 . . . . 74.32 112.447 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 7.9 Cg_exo -73.05 -21.43 20.64 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.313 2.009 . . . . 70.44 112.79 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 44' ' ' ILE . 3.6 m-20 -90.2 7.06 40.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.114 -0.494 . . . . 71.5 111.457 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.08 -39.62 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 73.15 111.947 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -68.4 -24.96 64.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.378 -0.374 . . . . 54.44 111.754 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -38.46 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.323 -0.235 . . . . 74.21 111.123 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.01 -40.57 67.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.95 -0.568 . . . . 70.32 111.823 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.02 -49.1 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 50.1 111.459 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.18 -27.96 63.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.383 -0.371 . . . . 74.21 111.821 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.44 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 2.4 m95 -73.24 -35.75 66.31 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.604 -0.438 . . . . 73.12 110.252 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.3 mm -73.01 -33.61 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 53.54 110.009 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -59.75 -24.42 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.789 -0.641 . . . . 70.33 110.424 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -93.53 -9.28 38.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.979 -0.555 . . . . 72.22 111.002 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.431 -0.349 . . . . 75.24 110.595 -178.22 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.639 ' N ' ' HG1' ' A' ' 59' ' ' THR . 16.9 m-20 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 121.272 0.558 . . . . 61.31 110.683 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.39 131.05 38.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.646 -0.706 . . . . 70.11 109.677 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.98 105.28 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.381 -0.6 . . . . 60.03 109.381 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 tp -94.64 -39.31 10.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 75.5 110.983 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.591 HD11 HG11 ' A' ' 35' ' ' VAL . 82.6 mt -121.16 161.78 21.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.526 -0.546 . . . . 73.22 109.526 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -124.82 115.95 21.49 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.886 -0.326 . . . . 71.34 110.959 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.63 46.88 80.62 Favored Glycine 0 C--N 1.33 0.227 0 O-C-N 123.82 0.7 . . . . 41.32 113.73 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 33.6 tp -113.22 128.04 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.911 -0.404 . . . . 72.44 109.911 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -78.74 157.84 28.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.689 0.281 . . . . 71.32 110.557 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.621 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 52.9 tt0 -60.73 -30.32 69.91 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 74.32 112.224 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.8 -42.02 88.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.896 0.379 . . . . 74.23 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -87.11 -27.29 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.09 0.472 . . . . 63.22 110.634 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -65.69 -19.81 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.977 -0.556 . . . . 62.3 110.928 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.27 -38.69 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 72.33 110.78 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -72.5 -22.39 61.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 72.45 110.652 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.2 t -88.92 -51.56 12.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.71 -0.677 . . . . 72.31 110.884 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.11 -26.15 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 72.33 111.335 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.25 85.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 44.43 111.526 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.5 p -73.05 -20.01 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.941 0.4 . . . . 51.21 110.862 -176.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.1 mm? -83.29 -58.66 2.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 63.03 110.156 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.75 -43.62 98.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.669 -0.696 . . . . 63.55 112.004 -172.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.26 -26.85 68.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 73.3 111.486 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -96.77 6.57 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.835 0.35 . . . . 74.02 110.675 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.7 m120 62.25 27.27 16.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.589 -0.732 . . . . 32.04 112.522 172.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.2 tt -84.68 151.93 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 64.22 108.738 172.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.0 tp10 -54.26 100.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.846 0.355 . . . . 74.24 110.488 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -111.7 114.02 26.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.184 -0.462 . . . . 72.23 110.619 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.625 ' HB3' HG23 ' A' ' 59' ' ' THR . 15.2 t-20 -123.7 155.61 37.51 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.236 -0.654 . . . . 71.14 109.236 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -111.69 111.65 22.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 73.12 110.633 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 59' ' ' THR . 8.3 pt -99.0 130.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 64.11 111.365 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.39 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.659 -0.7 . . . . 64.34 109.166 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.475 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.6 m -148.87 151.96 35.62 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.223 -0.288 . . . . 72.5 110.223 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.15 99.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.138 -0.553 . . . . 72.02 112.965 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -82.66 -11.74 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 75.0 111.087 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 15.0 tp -113.98 -50.2 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.262 -0.426 . . . . 75.44 112.052 -166.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.1 -105.38 3.27 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.827 -0.701 . . . . 44.4 111.774 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.568 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 73.5 m-85 -116.89 122.85 45.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.739 0.304 . . . . 74.41 110.594 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.5 m -150.08 160.24 43.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.99 0.424 . . . . 73.12 110.959 174.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.465 HG21 ' HG ' ' A' ' 39' ' ' LEU . 24.3 mm -102.16 130.31 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.592 -0.731 . . . . 54.32 109.343 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.639 ' HG1' ' N ' ' A' ' 20' ' ' ASP . 11.1 t -116.92 143.49 45.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.071 0.462 . . . . 54.33 109.859 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 33.8 m -114.26 173.09 3.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.423 -0.808 . . . . 54.33 109.187 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -60.5 152.38 26.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.748 -0.464 . . . . 71.2 109.748 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.3 tt0 -52.8 -51.45 73.94 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 74.13 112.771 -173.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 12.9 Cg_exo -70.66 -13.56 32.52 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 75.2 112.786 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 61' ' ' ALA . 32.7 m-20 -97.13 2.41 51.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 73.23 111.346 -175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.63 -34.41 74.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.383 . . . . 72.23 110.943 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -58.68 -32.84 69.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.883 -0.599 . . . . 74.3 111.425 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.31 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.318 . . . . 51.33 110.56 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.572 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.02 -50.06 69.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 55.3 111.003 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 57.7 t -61.32 -38.2 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 55.54 110.665 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.58 -38.82 92.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 71.44 110.615 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.2 m95 -69.54 -37.54 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.902 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 68' ' ' ALA . 36.3 mm -65.76 -28.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 53.21 110.045 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 71.1 mmtt -70.99 -17.17 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 62.3 111.199 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 m -86.23 -8.89 57.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.229 0.538 . . . . 73.15 110.477 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.0 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 74.53 109.765 176.691 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 112.385 0.513 . . . . 75.52 112.385 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.764 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -85.5 116.17 23.65 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.547 -0.461 . . . . 72.23 110.193 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -69.89 124.83 25.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.119 -0.491 . . . . 71.44 110.844 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 58' ' ' ILE . 45.2 tp -106.5 -23.34 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 51.24 110.294 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.755 HD11 HG11 ' A' ' 35' ' ' VAL . 44.3 mt -140.08 160.42 39.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.009 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -129.24 115.68 18.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.708 0.289 . . . . 62.3 110.892 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.28 51.72 52.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.121 -0.561 . . . . 64.35 113.549 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 24' ' ' LEU . 8.6 mp -109.85 149.85 29.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.941 0.4 . . . . 70.1 110.187 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.14 172.8 7.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.962 -0.563 . . . . 73.54 110.038 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -58.87 -39.47 81.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.386 -0.37 . . . . 63.54 111.324 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.7 -30.9 71.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 63.13 111.076 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -78.24 -42.69 30.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 71.33 109.972 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.47 -20.1 66.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 43.0 111.398 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -57.48 -44.74 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 70.25 110.993 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -74.62 -33.32 62.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.205 0.526 . . . . 54.51 110.223 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.755 HG11 HD11 ' A' ' 24' ' ' LEU . 76.3 t -66.55 -50.71 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.544 -0.753 . . . . 71.32 111.459 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 tt -67.28 -23.8 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.963 0.411 . . . . 71.21 110.649 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.65 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 74.32 111.516 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.6 p -71.28 -29.63 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.79 0.329 . . . . 74.32 110.824 -177.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 38' ' ' VAL . 3.4 mm? -71.31 -51.75 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 60.13 110.048 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.73 -31.22 72.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 74.44 110.616 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.2 ttt -58.81 -34.82 71.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.574 . . . . 74.33 110.887 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -96.55 16.69 18.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.441 . . . . 71.23 111.303 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 m120 62.89 19.33 11.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.913 0.709 . . . . 75.54 112.913 171.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.7 tt -97.67 129.57 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.524 -0.547 . . . . 72.42 109.524 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 2.2 pm0 -66.76 122.6 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 71.43 111.339 -176.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.58 128.99 55.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.119 -0.946 . . . . 41.34 110.512 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.9 m120 -107.27 175.94 5.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.74 -0.664 . . . . 71.44 110.165 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -111.04 121.44 45.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.117 -0.492 . . . . 71.22 111.148 -173.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 59' ' ' THR . 3.7 pt -109.19 106.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.093 0.473 . . . . 74.2 109.841 170.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.44 142.35 40.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.63 -0.714 . . . . 73.4 110.532 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 50.7 m -154.69 159.67 40.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 51.11 109.746 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.44 97.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.115 -0.564 . . . . 62.42 112.818 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 5.1 tptm -90.05 -39.44 12.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.657 0.265 . . . . 53.52 111.089 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 17.9 tp -70.41 -32.44 70.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.43 -0.35 . . . . 74.34 111.268 -174.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.36 -129.12 9.13 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.734 -0.745 . . . . 75.13 111.591 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.72 119.36 38.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.896 0.379 . . . . 64.41 110.058 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 24' ' ' LEU . 60.5 m -136.88 158.85 43.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.377 -0.374 . . . . 75.41 110.343 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' HD23 ' A' ' 23' ' ' LEU . 42.4 mm -101.38 126.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.596 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.464 ' CG2' HG23 ' A' ' 49' ' ' ILE . 10.3 t -113.08 136.54 52.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.741 -0.837 . . . . 64.21 108.741 170.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 68' ' ' ALA . 34.7 m -113.47 175.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 109.159 -0.682 . . . . 74.34 109.159 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.99 114.22 0.58 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.918 -0.771 . . . . 52.32 108.918 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.44 -44.21 98.62 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.021 0.748 . . . . 64.42 113.021 -168.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.77 -17.71 56.5 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.914 1.743 . . . . 74.44 112.844 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.3 16.91 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.429 -0.351 . . . . 64.11 110.97 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -59.71 -27.7 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.047 0.451 . . . . 73.32 110.669 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -55.59 -37.68 68.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.738 -0.665 . . . . 74.44 111.115 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.71 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.373 -0.376 . . . . 72.41 110.429 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.65 -50.49 65.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.993 -0.549 . . . . 44.21 110.814 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.62 -42.37 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.821 -0.627 . . . . 74.35 110.896 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -66.11 -40.04 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 75.33 111.156 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.4 m95 -69.27 -44.18 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.955 -0.298 . . . . 64.24 110.647 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.52 ' CD1' HG13 ' A' ' 35' ' ' VAL . 41.9 mm -68.98 -27.69 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.1 110.943 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 12.7 tppt? -64.83 -22.85 67.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.262 0.553 . . . . 71.34 110.162 177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 m -90.55 -9.02 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.551 -0.75 . . . . 72.15 110.673 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--N 1.33 -0.241 0 N-CA-C 109.571 -0.529 . . . . 74.01 109.571 175.347 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.0 0.429 . . . . 74.13 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -79.38 123.0 27.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.221 -0.445 . . . . 72.41 109.868 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 5.1 p-10 -77.57 124.56 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.442 0.639 . . . . 73.13 110.551 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -95.37 -24.0 16.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.32 -0.854 . . . . 73.54 110.845 -176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.582 HD13 HD22 ' A' ' 27' ' ' LEU . 50.7 mt -127.69 167.78 15.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 73.33 110.035 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.634 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.3 mmpt? -118.28 115.44 24.72 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 122.91 0.131 . . . . 64.0 111.327 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.472 ' H ' HD12 ' A' ' 54' ' ' LEU . . . 49.32 66.51 2.18 Favored Glycine 0 C--N 1.335 0.514 0 O-C-N 123.615 0.572 . . . . 44.34 114.52 172.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' ' 24' ' ' LEU . 3.8 mp -113.38 139.43 48.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.959 0.409 . . . . 71.04 111.305 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 17.6 t70 -78.97 165.13 23.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.804 -0.635 . . . . 71.44 109.436 174.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -56.92 -38.33 72.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.626 -0.261 . . . . 75.51 111.548 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 6.8 pt-20 -67.36 -37.8 83.77 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.959 -0.296 . . . . 75.42 111.1 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.79 -37.47 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.996 0.427 . . . . 64.42 110.549 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.94 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 53.44 111.082 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.563 ' HA ' HG22 ' A' ' 36' ' ' ILE . 27.8 t-20 -60.26 -35.99 76.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.147 -0.478 . . . . 65.33 110.608 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.6 -37.99 85.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 63.13 110.716 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 24' ' ' LEU . 88.9 t -81.78 -46.32 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.63 . . . . 75.31 111.348 -176.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.563 HG22 ' HA ' ' A' ' 33' ' ' ASN . 16.0 tt -62.49 -29.29 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.717 0.294 . . . . 61.31 110.912 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.26 98.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.198 -0.455 . . . . 64.35 110.154 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' CE1' ' A' ' 42' ' ' HIS . 4.7 t -61.73 -48.54 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.559 . . . . 50.31 110.945 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' HG21 ' A' ' 58' ' ' ILE . 4.4 mm? -55.48 -52.78 62.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.593 0.235 . . . . 71.51 110.955 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 13.3 mm-40 -68.48 -30.08 68.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.715 0.265 . . . . 64.33 111.715 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.9 tpt -69.76 -19.8 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 62.01 110.529 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.427 ' CE1' HG13 ' A' ' 38' ' ' VAL . 64.4 m80 -98.29 7.04 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 74.4 110.505 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 59.83 31.26 20.68 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.637 -0.71 . . . . 71.2 112.097 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.74 144.95 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.989 -0.374 . . . . 72.05 109.989 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.77 132.68 53.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.009 -0.541 . . . . 73.34 111.042 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -124.86 114.74 19.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.535 -0.757 . . . . 74.31 109.631 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.96 154.9 19.49 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.583 -0.525 . . . . 73.42 109.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -95.96 144.28 26.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.875 0.369 . . . . 72.51 110.396 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 22' ' ' ASP . 1.2 pt -120.2 89.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 44.11 109.828 171.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -83.48 117.17 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.543 -0.753 . . . . 73.15 110.53 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -154.2 140.24 18.34 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.393 -0.822 . . . . 60.44 109.852 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.82 80.21 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 121.106 -0.568 . . . . 65.35 112.398 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -63.49 -26.81 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.595 0.358 . . . . 74.04 111.856 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 57' ' ' SER . 43.9 tp -114.68 -52.39 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 53.23 112.492 -169.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.9 -115.15 4.57 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.604 -0.998 . . . . 61.21 110.604 -171.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.06 122.08 31.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.075 0.464 . . . . 74.4 110.822 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.549 ' HB2' HD21 ' A' ' 54' ' ' LEU . 68.0 m -149.71 170.77 17.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 62.43 110.369 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -95.49 143.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.206 -0.452 . . . . 53.43 110.635 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.462 HG21 HG23 ' A' ' 49' ' ' ILE . 5.3 t -135.91 163.13 30.97 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.794 -0.817 . . . . 74.01 108.794 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.51 172.91 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.77 0.319 . . . . 73.04 110.773 -176.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.539 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -68.86 160.48 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 71.31 110.108 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 23.6 mp0 -53.9 -52.51 67.23 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.442 0.534 . . . . 71.33 112.442 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 71.5 Cg_endo -74.59 -8.17 20.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.834 1.69 . . . . 72.32 113.166 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.539 ' OD1' ' HB3' ' A' ' 61' ' ' ALA . 10.1 m-20 -98.76 -0.23 43.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 55.15 110.408 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.81 -47.42 77.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.81 -0.632 . . . . 60.44 111.782 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -61.65 -37.26 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 75.35 111.45 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.63 94.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 61.44 110.844 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.554 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.8 -41.8 74.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 41.52 110.927 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 61.2 t -61.2 -46.97 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 72.1 111.073 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -60.71 -41.02 94.41 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.317 -0.402 . . . . 74.53 111.44 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.4 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.5 m95 -68.55 -39.14 81.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.59 -0.277 . . . . 75.01 110.787 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.0 mm -65.58 -38.65 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.653 -0.249 . . . . 74.31 111.016 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 42.0 mtmt -58.8 -33.22 70.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.517 . . . . 73.14 110.511 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -86.4 -15.87 39.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.589 -0.732 . . . . 60.04 110.551 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.5 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.721 -0.672 . . . . 75.34 110.974 179.44 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.544 ' HA ' HG21 ' A' ' 49' ' ' ILE . 1.9 m-20 . . . . . 0 C--O 1.233 0.191 0 N-CA-C 111.9 0.333 . . . . 73.03 111.9 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -101.7 113.82 27.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.233 -1.025 . . . . 72.31 108.233 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.62 106.17 14.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.814 0.816 . . . . 72.12 111.156 -172.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.013 HD21 HG13 ' A' ' 72' ' ' ILE . 58.8 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.884 -1.053 . . . . 53.35 110.007 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 57' ' ' SER . 51.2 mt -92.36 164.84 13.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 73.42 109.766 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -140.46 115.8 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.162 -0.31 . . . . 70.33 110.162 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 25.7 62.04 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.848 -0.691 . . . . 55.25 113.683 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.573 HD22 HD13 ' A' ' 24' ' ' LEU . 10.1 mp -102.66 151.74 22.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.177 0.488 . . . . 73.12 110.909 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -101.46 176.12 5.34 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.172 -0.677 . . . . 62.35 109.172 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -62.73 -37.1 85.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.444 0.298 . . . . 75.13 110.808 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.17 -37.67 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 73.42 111.577 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.508 ' HG3' HD23 ' A' ' 27' ' ' LEU . 52.8 tp60 -86.59 -33.32 20.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 71.34 110.406 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.69 69.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 43.45 110.533 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 74.51 110.963 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.49 -29.23 66.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.533 . . . . 64.23 110.33 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 HD12 ' A' ' 72' ' ' ILE . 78.3 t -77.67 -51.43 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.377 -0.828 . . . . 64.02 110.933 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.503 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.3 tt -65.38 -20.76 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.025 0.441 . . . . 65.04 110.711 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.09 77.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 55.3 111.274 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.3 p -74.59 -27.93 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.863 -0.335 . . . . 75.32 110.528 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 36' ' ' ILE . 3.1 mm? -73.52 -43.91 58.94 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.506 -0.553 . . . . 63.22 109.506 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.78 -44.55 93.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.616 -0.72 . . . . 73.12 110.389 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.8 tpt -68.6 -20.71 64.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 61.33 110.731 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -93.89 2.41 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.873 0.368 . . . . 65.51 110.18 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 62.58 33.36 15.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.526 -0.761 . . . . 60.44 111.942 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 tt -113.73 131.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.958 -0.386 . . . . 64.11 109.958 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.48 130.99 38.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.356 0.598 . . . . 71.14 111.098 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 151.8 35.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 43.23 110.423 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.404 ' HB2' HG23 ' A' ' 59' ' ' THR . 16.1 m120 -105.89 163.2 12.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.223 -0.444 . . . . 62.21 110.376 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -104.3 125.32 50.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.104 -0.498 . . . . 72.11 110.901 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 20' ' ' ASP . 6.9 pt -115.13 102.69 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.221 0.534 . . . . 75.0 110.626 174.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -100.41 128.85 46.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.675 -0.693 . . . . 64.13 110.616 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 44.7 m -152.85 152.41 31.53 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.204 -0.665 . . . . 74.02 109.204 176.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.09 -46.61 94.2 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.047 -0.597 . . . . 71.1 113.345 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -78.06 -10.26 59.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 73.52 111.127 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 41.5 tp -105.62 -46.53 4.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 73.11 111.334 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.9 -128.56 8.99 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.475 -0.65 . . . . 62.23 111.475 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -106.69 119.49 39.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.911 0.386 . . . . 75.22 110.247 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 24' ' ' LEU . 53.6 m -139.96 155.89 46.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.114 -0.493 . . . . 62.14 110.915 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.402 HD11 ' HB ' ' A' ' 36' ' ' ILE . 43.1 mm -95.97 134.73 32.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 75.41 109.885 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.405 HG21 HG23 ' A' ' 49' ' ' ILE . 2.4 t -130.98 161.85 31.03 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.934 -0.395 . . . . 63.12 109.934 174.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -141.92 173.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.406 -0.59 . . . . 61.11 109.406 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.27 140.78 16.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.459 0.474 . . . . 51.41 110.517 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 2.6 mp0 -45.38 -52.18 23.22 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.218 0.821 . . . . 73.25 113.218 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 15.3 Cg_exo -68.96 -23.95 33.94 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.985 1.79 . . . . 63.52 112.683 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -87.56 2.49 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 74.15 111.074 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -57.57 -36.41 71.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.903 -0.59 . . . . 73.52 110.954 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -60.07 -28.91 68.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.853 -0.612 . . . . 74.52 111.483 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.56 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 73.32 110.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.68 -49.3 70.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.885 -0.598 . . . . 64.15 110.908 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.29 -40.55 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.509 . . . . 70.24 110.775 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -64.27 -47.59 78.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 74.4 111.063 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -67.42 -40.48 85.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 72.53 111.047 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.013 HG13 HD21 ' A' ' 23' ' ' LEU . 39.9 mm -71.71 -31.22 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.855 0.359 . . . . 73.13 110.97 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.03 -25.46 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.332 0.587 . . . . 63.33 110.063 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -77.34 -24.85 50.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 74.55 110.634 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.3 t80 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 65.22 110.893 -179.38 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 114.497 1.295 . . . . 61.25 114.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -54.05 116.53 2.63 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.465 0.306 . . . . 75.44 111.13 -172.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.71 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 p-10 -75.38 125.41 28.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.618 -0.719 . . . . 72.33 110.536 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 tp -92.5 -20.03 21.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.408 -0.815 . . . . 71.52 110.166 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 27' ' ' LEU . 29.4 mt -142.58 152.79 42.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.386 -0.824 . . . . 74.12 109.837 -173.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -131.62 116.61 17.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 72.12 110.588 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.44 19.6 54.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.836 -0.697 . . . . 73.11 113.053 174.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' HG ' ' OE1' ' A' ' 31' ' ' GLN . 8.7 mp -100.76 146.13 27.63 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.594 -0.357 . . . . 51.01 110.5 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -101.83 178.36 4.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 74.14 110.352 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -59.83 -38.61 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 70.22 110.631 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.75 -31.07 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.93 -0.577 . . . . 71.23 111.318 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.596 ' OE1' ' HG ' ' A' ' 27' ' ' LEU . 78.8 mt-30 -87.08 -41.42 13.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.171 0.51 . . . . 73.24 110.307 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.32 -19.19 65.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 70.42 111.237 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -54.74 -36.82 65.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 70.42 111.594 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.41 -37.73 36.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.307 0.575 . . . . 71.43 110.162 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.579 HG11 HD11 ' A' ' 24' ' ' LEU . 90.6 t -60.38 -52.06 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 64.45 111.472 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 tt -73.15 -19.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.82 0.343 . . . . 75.03 110.937 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.05 96.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 74.14 111.147 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 35' ' ' VAL . 7.2 p -73.9 -26.68 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.056 0.455 . . . . 42.01 110.34 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.531 HD12 HG13 ' A' ' 38' ' ' VAL . 10.8 mp -73.54 -46.44 47.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 63.05 110.419 176.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.6 -36.19 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 73.01 111.217 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -64.68 -35.69 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.037 0.446 . . . . 71.42 110.784 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -87.92 -6.65 57.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.342 -0.39 . . . . 60.23 111.071 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 61.06 31.71 19.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.543 0.687 . . . . 65.1 110.947 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.1 tt -82.86 145.93 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.145 -0.687 . . . . 44.44 109.145 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.81 110.34 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.025 0.44 . . . . 64.22 110.847 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.32 123.42 43.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.963 -0.562 . . . . 64.52 110.607 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.68 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.0 m120 -105.88 158.15 16.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.655 -0.869 . . . . 74.44 108.655 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -114.98 137.98 51.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.742 -0.383 . . . . 71.24 111.275 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.704 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.1 pt -137.64 127.55 36.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.22 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -110.56 132.58 54.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.971 -0.559 . . . . 60.12 109.976 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 57.7 m -156.33 159.64 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.223 -0.288 . . . . 74.21 110.223 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.12 -44.55 87.06 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.884 -0.674 . . . . 62.4 112.196 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -67.43 -15.72 63.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.08 0.467 . . . . 74.01 111.527 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 22' ' ' ASP . 2.6 tt -113.5 -42.66 3.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.985 -0.552 . . . . 72.23 112.363 -167.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 -115.2 4.39 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.921 -0.871 . . . . 72.12 110.921 -173.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.58 115.57 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.482 -0.933 . . . . 65.52 108.482 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.684 ' HB2' HD11 ' A' ' 54' ' ' LEU . 70.4 m -151.05 179.71 8.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.153 0.502 . . . . 72.45 111.484 -175.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.434 HG21 HD22 ' A' ' 39' ' ' LEU . 9.2 mm -109.85 149.2 12.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.364 -0.835 . . . . 62.51 110.882 -174.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.704 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.3 t -134.6 158.62 43.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.626 -1.25 . . . . 53.34 107.626 169.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.5 m -130.21 172.42 15.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 C-N-CA 120.747 -0.381 . . . . 63.24 110.619 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 147.64 36.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 71.45 109.829 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 42.4 mt-10 -54.64 -47.98 96.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.409 0.522 . . . . 52.45 112.409 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 23.0 Cg_endo -63.45 -32.29 71.26 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.722 1.614 . . . . 64.55 112.798 175.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.621 ' HB3' HD11 ' A' ' 44' ' ' ILE . 1.8 m-20 -85.89 1.49 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.708 0.29 . . . . 74.22 111.528 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.81 -28.78 69.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 65.44 110.95 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -58.56 -41.35 85.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.905 -0.589 . . . . 63.14 111.087 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.02 58.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 55.24 111.386 -175.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.499 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.78 -55.55 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 72.51 111.224 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.65 -29.24 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.098 0.475 . . . . 74.34 110.467 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -67.02 -44.57 79.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 74.41 110.762 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -73.06 -46.84 49.43 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.435 -0.348 . . . . 64.55 111.234 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.528 HD12 HG13 ' A' ' 35' ' ' VAL . 32.8 mm -70.97 -8.68 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.284 0.564 . . . . 73.25 111.557 -172.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 73' ' ' LYS . 36.0 ttmt -62.3 -23.51 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.253 -0.431 . . . . 62.31 110.603 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.9 p -81.28 -15.15 56.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.043 0.449 . . . . 73.5 111.259 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 75.33 110.605 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.709 0.29 . . . . 61.32 111.328 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HE3' ' HD1' ' A' ' 65' ' ' PHE . 1.7 mptp? -134.49 126.61 29.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 73.45 110.149 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.1 106.18 9.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 61.33 110.357 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 HG13 ' A' ' 72' ' ' ILE . 20.9 tp -93.0 -51.09 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.596 -0.729 . . . . 72.35 111.225 -173.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 23' ' ' LEU . 5.7 mp -117.36 173.25 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.102 -0.333 . . . . 74.54 110.102 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -140.27 116.76 10.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.566 0.222 . . . . 51.03 111.083 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.11 -31.97 8.13 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.769 -0.729 . . . . 61.5 113.829 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 31' ' ' GLN . 6.4 mp -65.43 146.08 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 74.11 111.103 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -98.74 179.75 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.99 -0.55 . . . . 73.11 109.517 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -47.44 76.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.427 . . . . 75.22 110.758 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.97 -31.2 68.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 54.32 112.255 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.6 mp0 -86.8 -32.12 20.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.022 0.439 . . . . 64.42 110.645 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.85 -19.39 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 74.44 110.888 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -51.65 -46.27 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 72.24 111.296 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.58 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.315 0.578 . . . . 71.03 110.509 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 38' ' ' VAL . 45.1 t -83.96 -52.79 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.577 -0.738 . . . . 71.13 110.684 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.0 tt -60.43 -26.0 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.841 0.353 . . . . 30.03 111.184 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.14 77.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 72.43 111.267 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.2 p -76.79 -27.44 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.353 . . . . 75.02 110.722 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.589 HD21 HD11 ' A' ' 72' ' ' ILE . 3.3 mm? -70.91 -49.0 50.57 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.643 -0.503 . . . . 74.35 109.643 175.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.82 -40.18 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 52.33 110.046 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.97 -32.91 68.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.274 -0.875 . . . . 62.31 111.552 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -92.86 1.91 57.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.494 -0.321 . . . . 74.02 111.707 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.54 20.91 11.64 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.983 0.42 . . . . 70.22 111.571 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.558 HD11 ' HB3' ' A' ' 64' ' ' ASP . 10.8 tt -87.48 150.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.96 -0.564 . . . . 74.24 109.644 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' O ' HG12 ' A' ' 60' ' ' VAL . 4.5 tp10 -54.56 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.366 0.416 . . . . 70.42 110.706 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -110.36 113.13 25.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 75.11 109.954 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.676 ' HB3' HG23 ' A' ' 59' ' ' THR . 3.9 t-20 -118.6 140.79 49.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.987 -0.551 . . . . 71.42 109.862 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -98.29 104.92 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 73.25 110.912 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.409 HG23 ' CG2' ' A' ' 59' ' ' THR . 8.8 pt -90.32 123.35 42.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.968 0.414 . . . . 73.52 110.761 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -109.26 135.9 49.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.692 -0.685 . . . . 70.55 110.318 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.593 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 39.3 m -154.75 169.27 24.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.929 -0.578 . . . . 61.23 109.724 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.66 -37.03 10.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 71.54 112.104 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -80.61 -30.71 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.202 0.525 . . . . 71.43 110.554 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 7.4 tt -98.62 -35.14 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.63 -0.714 . . . . 74.42 111.427 -173.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.8 -113.48 4.1 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.157 -0.777 . . . . 71.53 111.157 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -131.29 138.17 49.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.904 0.383 . . . . 75.01 110.324 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.1 m -149.02 165.69 30.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.108 -0.496 . . . . 74.43 111.039 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.495 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.5 mm -102.48 108.36 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.562 -0.745 . . . . 70.54 109.73 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 47' ' ' ASN . 12.3 t -101.12 153.3 19.7 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.808 -0.441 . . . . 64.31 109.808 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 68' ' ' ALA . 21.9 m -128.76 173.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.87 149.0 50.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.048 -0.524 . . . . 64.21 110.615 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.549 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 13.2 mp0 -51.31 -45.55 89.66 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 112.784 0.661 . . . . 64.22 112.784 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 18.1 Cg_endo -61.41 -11.78 21.15 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.264 1.976 . . . . 72.33 113.712 177.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.558 ' HB3' HD11 ' A' ' 44' ' ' ILE . 52.2 m-20 -114.54 22.64 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 75.41 110.526 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HD1' ' HE3' ' A' ' 21' ' ' LYS . 90.3 t80 -49.81 -59.34 3.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.813 -0.631 . . . . 63.41 112.468 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -71.51 -23.35 61.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.708 0.289 . . . . 43.11 111.473 -174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.73 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.408 -0.36 . . . . 63.13 110.977 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.51 -51.42 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.022 -0.535 . . . . 74.32 111.497 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.11 -34.26 67.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 75.02 110.789 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -74.23 -29.17 61.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.55 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.2 m95 -76.59 -20.73 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 74.15 110.894 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 68' ' ' ALA . 21.5 mm -88.47 -5.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.004 0.43 . . . . 74.44 110.313 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -53.75 -27.14 26.91 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.749 0.648 . . . . 62.1 112.749 -173.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 p -70.02 -21.53 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.928 0.344 . . . . 64.14 111.928 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 71.11 111.39 178.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 121.487 0.661 . . . . 54.51 109.919 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -86.14 128.83 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 75.12 109.699 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.01 132.02 35.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.345 0.593 . . . . 34.44 110.226 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 tp -107.89 -40.55 5.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.883 -0.598 . . . . 74.21 110.754 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 35' ' ' VAL . 41.1 mt -114.89 167.34 10.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.87 -0.605 . . . . 73.11 110.023 -174.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -134.5 115.62 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.558 0.218 . . . . 75.14 110.565 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 52.08 9.1 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.129 -0.557 . . . . 72.02 114.179 172.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.572 HD22 HD13 ' A' ' 24' ' ' LEU . 7.5 mp -118.87 150.87 39.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.98 0.39 . . . . 73.52 110.132 172.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.68 176.69 6.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.398 . . . . 74.25 110.106 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.61 -57.97 10.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.508 0.323 . . . . 75.14 111.611 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.63 -23.9 66.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 72.12 110.993 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.35 -32.03 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.138 0.494 . . . . 70.0 110.088 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.91 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.711 -0.677 . . . . 63.33 111.209 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' HA ' HG22 ' A' ' 36' ' ' ILE . 8.8 t30 -54.99 -41.53 71.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.34 -0.391 . . . . 41.12 111.311 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.5 tp10 -60.52 -46.09 91.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.974 0.416 . . . . 75.13 110.067 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 24' ' ' LEU . 60.7 t -68.21 -45.92 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 72.43 111.419 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.557 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 17.8 tt -64.3 -32.29 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.896 -0.322 . . . . 52.12 110.534 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.1 82.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 54.22 110.174 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 34' ' ' GLU . 69.8 t -56.01 -53.14 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.284 -0.416 . . . . 63.12 110.349 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 46' ' ' ALA . 4.5 mm? -56.89 -51.08 70.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 73.01 110.976 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.18 -37.47 87.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.31 -0.405 . . . . 53.53 111.272 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -66.36 -24.14 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 54.33 111.135 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -89.12 11.94 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 72.14 110.864 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 65.4 28.03 11.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.906 -0.588 . . . . 74.23 112.504 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 64' ' ' ASP . 14.8 tt -112.4 145.11 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.256 -0.646 . . . . 54.34 109.256 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.62 104.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.441 0.638 . . . . 70.45 111.343 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -99.01 114.65 27.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.42 -0.809 . . . . 42.5 110.035 178.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 59' ' ' THR . 25.1 t-20 -107.24 145.1 33.1 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.193 -0.458 . . . . 75.33 109.772 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -89.15 123.83 33.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.58 . . . . 70.33 110.981 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.571 HD13 ' HB ' ' A' ' 59' ' ' THR . 25.4 pt -122.42 118.84 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.128 0.49 . . . . 71.52 110.822 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -109.57 139.41 44.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.99 -0.55 . . . . 74.42 109.992 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -157.57 151.84 24.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.596 -0.52 . . . . 71.34 109.596 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.71 -43.6 98.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.754 -0.736 . . . . 63.3 112.836 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -73.78 -16.79 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.842 0.353 . . . . 70.32 111.81 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.1 tp -113.63 -39.42 4.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.926 0.393 . . . . 74.44 111.846 -168.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.33 -125.12 7.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.696 -0.962 . . . . 64.12 110.696 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -117.13 121.45 41.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.999 0.428 . . . . 71.33 110.106 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.8 m -140.43 170.04 16.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.964 -0.562 . . . . 61.3 110.512 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.4 mm -108.03 141.6 22.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.863 -0.608 . . . . 64.21 109.718 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.571 ' HB ' HD13 ' A' ' 49' ' ' ILE . 4.0 t -127.41 152.88 46.95 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.914 -0.402 . . . . 62.24 109.914 176.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 ' HB2' ' A' ' 68' ' ' ALA . 27.7 m -134.09 175.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.859 -0.609 . . . . 60.01 109.952 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 139.5 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.699 0.624 . . . . 72.44 110.427 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.58 -55.88 20.05 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.818 0.673 . . . . 70.4 112.818 -173.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -73.58 -5.87 17.79 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.738 1.625 . . . . 62.4 112.949 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' HB3' HD11 ' A' ' 44' ' ' ILE . 4.0 m-20 -103.24 11.43 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.44 . . . . 74.54 110.714 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.96 -36.58 77.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 64.03 110.289 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -62.13 -34.91 77.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 61.13 110.986 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.13 72.95 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.465 -0.334 . . . . 71.11 110.203 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.627 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -56.69 -49.23 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 73.14 110.527 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 -36.54 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 73.51 110.593 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -62.66 -38.49 90.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.818 -0.628 . . . . 54.34 110.711 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -71.76 -31.74 66.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 73.23 110.646 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 68' ' ' ALA . 51.9 mm -63.95 -19.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 75.11 110.918 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 17.3 mmtt -65.78 -15.67 63.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.389 0.514 . . . . 70.03 112.389 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.2 p -85.64 1.49 49.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 64.41 110.465 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.3 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.656 . . . . 72.41 110.574 179.335 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 121.299 0.571 . . . . 65.14 110.174 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.917 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 10.2 mmpt? -73.53 116.61 14.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.702 -0.681 . . . . 52.13 110.745 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.37 129.75 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 75.1 110.626 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 72' ' ' ILE . 20.1 tp -111.64 -45.17 3.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.475 -0.784 . . . . 72.33 109.841 -177.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 35' ' ' VAL . 62.1 mt -137.15 138.48 40.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.124 -0.943 . . . . 72.42 109.377 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 9.1 mtpm? -114.23 123.05 48.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.138 0.494 . . . . 75.01 111.951 -174.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.24 40.59 10.05 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.626 -0.716 . . . . 50.52 112.405 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD22 HD13 ' A' ' 24' ' ' LEU . 20.4 tp -116.79 129.47 56.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.957 -0.386 . . . . 73.34 109.957 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.09 160.62 27.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.367 -0.379 . . . . 64.51 110.103 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -61.7 -33.65 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 74.03 109.821 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.63 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 50.25 110.613 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.84 -22.22 34.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 51.21 110.852 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 27' ' ' LEU . . . -62.49 -18.5 61.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.817 -0.629 . . . . 54.11 111.136 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -46.96 -43.02 18.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.399 -0.818 . . . . 71.45 111.96 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.0 -43.9 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.157 0.504 . . . . 61.31 110.952 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 24' ' ' LEU . 45.7 t -79.07 -42.61 23.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.774 -0.648 . . . . 73.43 111.633 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.36 -31.83 52.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.676 0.274 . . . . 72.01 110.665 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.63 92.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 60.52 110.473 177.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.97 -54.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 71.23 110.485 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.808 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.75 -47.46 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 74.14 111.028 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mmm -66.9 -25.51 66.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.359 . . . . 74.01 111.583 -177.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -82.93 7.95 13.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.614 0.245 . . . . 54.55 111.006 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 m120 63.46 22.19 13.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.864 -0.607 . . . . 65.04 111.968 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 tt -100.49 145.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.048 -0.723 . . . . 74.43 109.048 175.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 60' ' ' VAL . 41.4 tt0 -69.47 124.67 24.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.363 -0.381 . . . . 43.42 111.496 -173.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.48 114.21 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.053 -0.521 . . . . 53.51 110.846 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.605 ' HB2' HG23 ' A' ' 59' ' ' THR . 45.1 m-80 -113.98 156.82 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.426 -0.352 . . . . 53.24 110.185 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.84 142.92 27.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 42.33 111.987 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.551 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.8 pt -143.29 104.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 63.2 109.498 167.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.574 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 20.7 t70 -108.13 131.21 54.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.922 0.391 . . . . 73.21 110.427 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.7 m -156.34 151.99 27.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.786 -0.643 . . . . 75.1 109.334 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.98 95.1 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.756 -0.735 . . . . 72.23 112.933 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -70.6 -17.92 62.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 64.43 111.241 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tt -113.45 -53.21 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.229 -0.441 . . . . 61.1 111.987 -166.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 95.36 -134.05 11.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.504 -1.039 . . . . 41.12 110.504 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 31.3 m-85 -111.94 119.42 38.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.04 0.448 . . . . 72.05 111.056 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.407 ' OG ' HD21 ' A' ' 54' ' ' LEU . 45.5 m -120.45 159.29 25.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.861 -0.609 . . . . 74.05 110.338 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.4 mm -96.24 100.41 10.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.086 -0.709 . . . . 72.35 109.086 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.605 HG23 ' HB2' ' A' ' 47' ' ' ASN . 14.5 t -92.5 133.59 35.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.78 0.8 . . . . 62.34 110.39 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 45' ' ' GLU . 34.1 m -113.97 174.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.833 -1.076 . . . . 71.41 108.58 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.06 142.06 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.067 -0.346 . . . . 74.02 110.067 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 55.2 mt-10 -54.75 -48.24 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 112.936 0.717 . . . . 75.2 112.936 -172.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 40.6 Cg_endo -68.01 -14.45 41.07 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.713 1.609 . . . . 65.32 112.771 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -97.91 -0.68 44.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 44.45 111.227 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 69' ' ' VAL . 47.6 t80 -59.05 -31.14 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 53.43 110.931 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -55.9 -43.62 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.949 -0.568 . . . . 70.33 111.466 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.53 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 55.11 110.772 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.593 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -57.26 -46.6 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 72.54 110.959 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 65' ' ' PHE . 68.7 t -58.62 -40.5 79.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.187 -0.461 . . . . 71.34 110.828 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.84 -38.34 83.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.019 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.7 m95 -67.75 -33.14 74.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.585 -0.28 . . . . 74.42 110.871 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -65.5 -22.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 73.44 111.362 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -63.15 -22.87 67.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 72.34 111.119 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.6 p -79.44 -12.88 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 73.24 111.012 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.53 -0.545 . . . . 75.05 109.53 177.663 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HA ' HG21 ' A' ' 59' ' ' THR . 12.7 p-10 . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 121.38 0.609 . . . . 64.4 111.605 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 34.6 mmtm -145.79 149.76 34.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 74.23 110.602 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.516 ' HB3' HD11 ' A' ' 54' ' ' LEU . 7.4 p-10 -77.71 133.28 38.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.721 . . . . 75.2 110.976 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HB ' ' A' ' 58' ' ' ILE . 34.2 tp -112.43 -28.72 7.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.602 -0.726 . . . . 71.13 110.08 174.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 27' ' ' LEU . 67.0 mt -133.87 175.67 9.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 72.02 109.606 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -140.13 125.41 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.371 0.137 . . . . 71.33 111.371 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.27 94.5 Favored Glycine 0 C--N 1.333 0.372 0 O-C-N 123.596 0.56 . . . . 53.03 113.307 173.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 24' ' ' LEU . 12.8 tp -112.73 144.89 41.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.093 -0.336 . . . . 65.05 110.093 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.23 161.51 14.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.779 0.324 . . . . 73.21 110.383 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -54.95 -35.41 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.779 -0.646 . . . . 72.14 111.533 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.61 -35.58 79.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 64.41 111.081 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.504 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 47.3 mt-30 -81.13 -27.81 35.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 75.33 110.483 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.2 -22.85 67.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.739 -0.664 . . . . 75.41 111.098 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.59 -40.91 69.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.064 -0.516 . . . . 61.15 110.953 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.45 -30.73 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.63 -0.714 . . . . 64.32 110.839 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 24' ' ' LEU . 34.1 t -89.42 -45.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 70.54 111.357 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 tt -61.72 -31.52 51.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.851 0.358 . . . . 73.41 111.238 -175.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.95 73.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.095 -0.502 . . . . 65.14 110.87 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.0 -46.26 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.607 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.9 mm? -64.89 -52.97 53.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.057 -0.519 . . . . 75.53 110.965 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.51 -28.5 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 73.21 111.214 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 ttm -70.02 -35.91 74.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.407 . . . . 70.45 110.771 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -87.94 15.98 6.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.091 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.87 26.21 11.13 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.553 0.575 . . . . 73.1 112.553 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.44 128.26 70.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.987 -0.375 . . . . 70.1 109.987 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.31 121.82 11.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.932 -0.577 . . . . 53.03 110.777 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 113.99 23.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.691 -0.686 . . . . 63.34 110.603 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -105.99 155.29 19.52 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.43 -0.582 . . . . 71.31 109.43 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -105.1 133.35 50.02 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 121.042 -0.263 . . . . 62.33 110.515 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 57' ' ' SER . 1.1 pt -93.43 103.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 55.4 110.594 174.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.02 102.0 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 50.32 109.732 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.8 m -152.57 117.11 5.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 65.34 109.431 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.96 -30.54 76.18 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 121.223 -0.513 . . . . 53.41 113.08 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.78 -36.02 50.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.156 0.503 . . . . 74.35 110.838 -178.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 22' ' ' ASP . 5.3 tt -86.53 -40.48 15.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.307 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.83 168.88 29.73 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.557 -1.017 . . . . 72.4 110.557 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -76.16 117.74 18.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 72.13 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.623 ' HB2' HD11 ' A' ' 49' ' ' ILE . 75.6 m -133.44 169.7 16.57 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.156 -0.929 . . . . 65.33 110.104 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.561 HG21 ' HG ' ' A' ' 39' ' ' LEU . 34.8 mm -100.47 120.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.91 -0.586 . . . . 74.12 110.584 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.547 HG21 ' HA ' ' A' ' 20' ' ' ASP . 31.9 m -113.85 133.43 55.42 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.802 -0.635 . . . . 74.23 109.92 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 31.5 m -123.54 173.46 9.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.105 -0.498 . . . . 65.11 111.274 -174.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.56 149.94 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 72.52 110.986 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.581 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 55.7 mp0 -49.87 -54.52 31.48 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.906 0.706 . . . . 55.51 112.906 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 18.4 Cg_exo -67.67 -14.51 42.16 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.868 1.712 . . . . 72.32 113.053 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -107.36 3.71 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.568 0.21 . . . . 72.4 111.568 -176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.543 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 61.8 t80 -59.86 -49.85 76.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 72.31 111.312 -176.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 t -62.31 -29.42 70.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 74.21 111.108 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.86 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 64.03 110.341 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.1 -39.35 81.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 71.1 111.012 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 65' ' ' PHE . 62.0 t -61.12 -35.14 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.968 -0.56 . . . . 73.2 110.718 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.29 -34.03 65.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 71.21 110.788 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -68.65 -25.92 65.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 60.51 110.84 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.2 mm -68.11 -23.77 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.035 -0.53 . . . . 74.03 110.727 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 65.7 mmtt -62.49 -33.34 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 73.52 111.627 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -76.48 -26.7 55.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 71.14 111.359 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.117 0.484 . . . . 73.41 110.55 -178.664 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 113.078 0.77 . . . . 65.25 113.078 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -124.31 126.08 45.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.878 -0.416 . . . . 63.1 109.878 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' HB3' ' HE3' ' A' ' 25' ' ' LYS . 4.4 m-20 -70.3 105.59 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 64.22 109.834 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 58' ' ' ILE . 18.0 tp -96.13 -61.37 1.45 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 64.34 110.134 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 35' ' ' VAL . 67.4 mt -115.71 137.02 52.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.836 -0.62 . . . . 73.32 109.627 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 22' ' ' ASP . 11.2 mptt -113.63 115.57 28.11 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.561 -0.455 . . . . 75.22 110.39 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.96 -19.51 33.79 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.018 -0.61 . . . . 74.35 113.288 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.452 HD22 HD22 ' A' ' 24' ' ' LEU . 7.9 mp -67.88 138.98 56.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.884 0.373 . . . . 75.1 111.002 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HA ' ' HD1' ' A' ' 56' ' ' TYR . 17.4 t70 -85.19 166.6 16.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.847 -0.615 . . . . 71.33 109.619 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.709 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 10.5 pt20 -70.72 -17.13 62.82 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.001 -0.279 . . . . 60.01 111.231 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -57.85 -41.44 82.37 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.356 0.598 . . . . 75.23 109.604 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.01 -36.96 24.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.382 -0.826 . . . . 65.33 110.004 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -64.43 -19.99 65.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.714 -0.676 . . . . 74.32 111.376 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.51 -43.7 79.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 63.43 110.283 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.78 -32.33 70.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.421 0.629 . . . . 61.54 110.188 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 24' ' ' LEU . 80.9 t -71.12 -51.32 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.204 -0.907 . . . . 74.13 111.377 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 tt -70.96 -23.93 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.828 0.347 . . . . 75.12 110.684 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.33 96.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.206 -0.452 . . . . 44.21 111.171 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.6 p -68.08 -31.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.414 . . . . 64.43 110.177 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 44' ' ' ILE . 9.2 mp -64.58 -49.23 71.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.406 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -59.32 -40.12 85.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 74.11 110.809 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.1 mtt -75.76 -4.28 39.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 73.22 111.815 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -113.08 9.83 18.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 63.54 110.869 175.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 t30 63.34 25.46 14.66 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.474 -0.785 . . . . 62.22 111.807 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 39' ' ' LEU . 11.6 tt -96.16 150.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.047 -0.408 . . . . 71.15 110.055 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.34 137.12 56.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.417 -0.356 . . . . 74.33 110.455 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.93 121.19 20.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.828 0.347 . . . . 64.21 110.654 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.577 ' HB2' HG23 ' A' ' 59' ' ' THR . 12.7 m120 -109.84 151.61 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.372 -0.377 . . . . 53.4 110.32 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -103.84 119.2 38.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.419 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.441 HD13 ' HB ' ' A' ' 59' ' ' THR . 28.4 pt -125.63 118.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 72.3 111.267 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.16 139.64 43.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.695 -0.684 . . . . 75.35 109.328 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.1 m -153.75 142.03 20.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.907 -0.405 . . . . 64.32 109.907 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.61 92.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.275 -0.488 . . . . 54.43 113.433 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -12.7 54.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.957 0.378 . . . . 73.45 111.915 -176.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 65.3 tp -110.88 -38.8 5.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 70.54 111.643 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.36 -126.52 8.95 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.75 -0.94 . . . . 74.33 110.75 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 28' ' ' ASP . 96.7 m-85 -123.84 119.09 28.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.844 0.354 . . . . 72.41 110.436 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -124.17 158.5 32.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.186 0.517 . . . . 70.42 111.008 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' HD22 ' A' ' 23' ' ' LEU . 13.8 mm -111.44 100.95 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.603 -0.888 . . . . 60.35 108.603 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 47' ' ' ASN . 10.6 t -90.46 151.91 21.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.187 0.518 . . . . 54.22 110.863 -174.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.47 174.32 11.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.51 -0.768 . . . . 72.1 109.453 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.71 154.6 40.24 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.666 -0.494 . . . . 74.11 109.666 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 4.9 mp0 -53.24 -47.66 95.16 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.755 0.65 . . . . 60.51 112.755 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 31.2 Cg_exo -62.14 -20.68 70.69 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.066 1.844 . . . . 41.24 113.072 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -98.87 1.27 45.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.511 -0.313 . . . . 74.21 111.07 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.39 -44.52 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 75.32 111.331 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -66.86 -24.67 66.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 74.03 111.184 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.89 -42.86 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 75.21 110.653 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.626 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.88 -52.3 60.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.734 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.61 -37.71 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 72.01 110.832 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.7 -40.14 93.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 63.32 110.909 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.32 -38.75 81.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.006 0.432 . . . . 71.11 110.577 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 68' ' ' ALA . 29.1 mm -66.64 -29.64 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.55 . . . . 73.32 110.695 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -62.38 -36.86 83.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 71.1 110.76 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.59 44.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.012 0.375 . . . . 74.25 112.012 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.9 t80 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.077 0.465 . . . . 74.54 109.913 173.722 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.773 0.797 . . . . 73.34 112.221 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 9.9 mmpt? -113.52 142.81 45.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.831 -1.077 . . . . 72.12 108.344 170.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HB2' HD11 ' A' ' 54' ' ' LEU . 15.8 p-10 -79.3 105.81 10.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.641 0.734 . . . . 71.01 111.398 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 68' ' ' ALA . 46.2 tp -76.18 -41.06 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.137 -0.938 . . . . 75.01 110.463 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD13 HD22 ' A' ' 27' ' ' LEU . 35.6 mt -126.72 155.14 43.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.163 -0.926 . . . . 73.54 108.893 -177.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.26 116.74 14.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.785 -0.366 . . . . 64.51 110.8 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.34 39.57 5.97 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.772 -0.728 . . . . 71.32 113.3 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.585 HD22 HD13 ' A' ' 24' ' ' LEU . 8.6 mp -115.47 157.26 24.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 73.53 111.046 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.75 -178.99 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.54 -0.754 . . . . 64.41 109.744 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.67 -32.66 72.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 65.52 110.59 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.92 -57.37 12.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.43 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -66.93 -22.84 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.404 . . . . 55.11 110.895 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.1 65.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 60.1 111.391 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.32 -44.43 87.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.92 0.39 . . . . 52.23 110.234 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.322 0.582 . . . . 75.12 110.56 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 38' ' ' VAL . 87.5 t -69.02 -53.71 24.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.297 -0.865 . . . . 64.05 111.685 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 tt -59.94 -23.82 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.771 0.319 . . . . 74.44 111.205 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.22 97.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.264 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.2 p -72.57 -29.86 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.687 -0.405 . . . . 72.13 110.508 -177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.36 -46.2 61.03 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.733 -0.469 . . . . 73.35 109.733 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.18 -45.4 91.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 54.2 111.211 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -59.14 -37.08 76.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 62.11 111.969 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.23 3.68 54.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.571 -0.452 . . . . 62.02 111.206 -177.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.6 m120 64.02 24.2 13.49 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.749 -0.659 . . . . 65.35 112.315 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.0 tt -86.74 147.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.775 -0.454 . . . . 63.12 109.775 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.1 124.19 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.584 -0.28 . . . . 64.44 110.631 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.07 126.06 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 73.4 110.916 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -117.67 165.64 13.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.929 -0.578 . . . . 75.53 109.984 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -99.08 139.52 34.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.201 -0.454 . . . . 71.03 111.1 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.561 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.9 pt -128.8 102.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.282 0.563 . . . . 75.14 110.73 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -101.83 124.81 48.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.356 -0.838 . . . . 71.15 109.884 175.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -151.65 163.86 38.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.174 -0.466 . . . . 74.42 109.926 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.72 85.65 Favored Glycine 0 N--CA 1.454 -0.118 0 C-N-CA 120.799 -0.715 . . . . 71.34 112.476 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' ' 54' ' ' LEU . 15.7 ptmt -67.94 -22.26 65.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.818 0.342 . . . . 73.53 111.774 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.591 HD13 ' HE2' ' A' ' 53' ' ' LYS . 7.4 tp -113.91 -44.16 3.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.813 0.671 . . . . 62.21 112.813 -164.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 92.72 -127.25 8.9 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.412 -1.075 . . . . 63.44 110.412 -170.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.43 118.96 35.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.878 0.371 . . . . 63.24 110.063 174.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -141.7 178.16 7.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.393 -0.367 . . . . 75.24 111.15 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 mm -108.04 144.95 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.073 -0.512 . . . . 25.13 110.331 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 49' ' ' ILE . 1.9 t -135.49 158.03 45.41 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.989 -1.115 . . . . 71.51 107.989 170.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 35.9 m -134.64 174.2 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 121.122 -0.231 . . . . 72.22 110.87 -172.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.49 142.08 14.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 72.24 110.746 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.575 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 38.2 mt-10 -53.04 -50.67 80.76 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.634 0.605 . . . . 44.03 112.634 -174.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 20.1 Cg_exo -66.96 -24.25 45.97 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.746 1.63 . . . . 74.21 112.412 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.562 ' HB3' HD11 ' A' ' 44' ' ' ILE . 42.9 m-20 -96.56 3.82 52.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.092 -0.504 . . . . 74.21 111.771 -175.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 63.6 t80 -63.86 -34.73 78.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 62.12 111.054 -176.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -62.68 -26.9 68.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.913 0.387 . . . . 54.15 110.766 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.91 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.392 -0.367 . . . . 61.14 110.614 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.63 -46.59 73.94 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.026 0.441 . . . . 75.02 110.631 176.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.38 -38.2 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.78 -0.646 . . . . 70.41 110.65 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.35 -47.42 85.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 73.22 110.13 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -67.3 -38.33 84.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 72.22 110.86 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 68' ' ' ALA . 48.2 mm -72.27 -29.76 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.873 0.368 . . . . 75.24 110.642 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -66.66 -24.43 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.131 0.491 . . . . 64.23 110.099 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.6 m -78.33 -22.9 47.39 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.573 -0.74 . . . . 63.42 110.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 72.24 109.804 177.167 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 121.406 0.622 . . . . 73.45 111.388 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -125.65 116.36 21.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.782 -0.645 . . . . 72.45 109.587 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.87 105.61 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 75.12 110.252 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 tp -102.64 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.228 0.537 . . . . 75.41 110.565 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD11 HG11 ' A' ' 35' ' ' VAL . 32.5 mt -112.54 163.6 14.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.828 -0.624 . . . . 54.12 109.962 -174.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -133.39 124.62 27.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.536 0.208 . . . . 73.51 110.612 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.69 60.0 9.52 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 116.037 -0.529 . . . . 64.12 113.393 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 HD13 ' A' ' 24' ' ' LEU . 16.8 tp -124.0 149.63 45.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.883 0.341 . . . . 71.4 110.621 -178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.89 174.09 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 72.22 110.732 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -74.72 -41.84 59.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.37 -0.377 . . . . 61.55 110.935 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.83 -29.31 70.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.82 0.343 . . . . 65.11 110.854 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.05 -36.53 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 70.33 110.334 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.7 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.482 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HA ' HG22 ' A' ' 36' ' ' ILE . 7.8 t30 -58.43 -41.77 85.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.78 -0.645 . . . . 64.43 110.719 176.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.1 -33.92 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.257 0.551 . . . . 71.43 110.399 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.811 HG11 HD11 ' A' ' 24' ' ' LEU . 73.1 t -76.22 -50.11 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 71.22 111.023 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.552 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.2 tt -62.46 -23.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.799 0.333 . . . . 71.24 110.356 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.89 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 74.32 111.357 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 35' ' ' VAL . 10.0 p -72.27 -31.82 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.846 -0.341 . . . . 73.3 110.429 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.535 HD12 HG21 ' A' ' 44' ' ' ILE . 3.4 mm? -71.43 -53.84 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 71.12 110.366 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -63.32 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.727 -0.67 . . . . 60.2 110.667 -176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 tpp -59.3 -39.3 82.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 54.1 110.956 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -91.9 8.75 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.943 0.401 . . . . 71.1 110.795 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.31 32.49 21.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.359 -0.837 . . . . 64.0 111.675 174.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.535 HG21 HD12 ' A' ' 39' ' ' LEU . 11.8 tt -84.79 149.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.024 -0.732 . . . . 62.33 109.024 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -67.24 97.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.148 0.499 . . . . 74.21 111.022 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.435 ' C ' HD22 ' A' ' 47' ' ' ASN . . . -100.03 124.53 45.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.354 -0.839 . . . . 45.33 110.502 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.556 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.9 OUTLIER -114.26 154.39 28.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.239 -0.652 . . . . 72.44 109.239 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -97.79 136.39 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.701 -0.227 . . . . 74.41 110.68 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.521 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.6 pt -129.35 130.33 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 63.33 111.257 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -109.66 128.42 55.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 73.45 109.907 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.657 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 29.1 m -153.1 165.84 34.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.908 -0.404 . . . . 75.51 109.908 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.36 -49.13 12.51 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.768 -0.729 . . . . 71.22 113.387 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -76.94 -16.68 59.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.442 0.639 . . . . 73.12 110.441 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 4.2 tt -103.46 -32.67 9.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.25 -0.886 . . . . 75.21 111.17 -173.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.38 -117.57 5.58 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.157 -0.777 . . . . 72.13 111.157 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -115.71 118.94 34.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.399 -0.593 . . . . 73.21 109.399 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.596 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.4 m -146.4 178.42 8.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.014 0.435 . . . . 52.04 110.841 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.552 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 10.4 mm -110.91 138.37 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.726 -0.67 . . . . 64.35 110.852 -173.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.556 HG23 ' HB2' ' A' ' 47' ' ' ASN . 11.4 t -121.67 143.29 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.368 -0.975 . . . . 72.43 108.368 169.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.75 174.77 2.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 120.946 -0.301 . . . . 63.14 110.55 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.58 146.33 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 124.024 0.827 . . . . 52.25 111.43 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.6 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.6 tp10 -48.75 -54.77 24.24 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.577 -0.738 . . . . 74.13 112.884 -171.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 19.3 Cg_endo -91.37 0.6 4.66 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.178 1.919 . . . . 74.55 112.882 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.46 14.46 31.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.025 0.44 . . . . 74.23 111.18 -173.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.67 -27.37 67.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 72.33 110.579 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.6 t -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.625 -0.716 . . . . 50.32 111.346 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.3 51.57 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.276 -0.268 . . . . 73.05 110.276 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.61 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.17 -52.17 59.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.565 . . . . 52.12 110.672 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.03 -38.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 73.23 110.77 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -68.06 -40.18 82.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 72.2 110.768 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.43 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.5 m95 -72.06 -36.33 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.334 . . . . 72.13 110.631 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.9 mm -66.97 -35.39 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 65.44 110.167 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.26 -23.05 67.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.236 0.541 . . . . 63.14 110.149 175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.0 m -90.22 -18.71 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.861 -0.609 . . . . 70.41 110.461 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.2 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 71.05 110.535 178.58 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HA ' ' OG1' ' A' ' 59' ' ' THR . 7.9 m-20 . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.296 0.569 . . . . 74.43 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.746 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 26.4 mmmt -130.14 143.95 51.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.388 -0.824 . . . . 74.12 110.014 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -81.57 105.5 12.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.485 0.659 . . . . 63.31 110.374 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD22 ' HB1' ' A' ' 68' ' ' ALA . 61.7 tp -89.37 -29.62 18.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.499 -0.773 . . . . 73.43 110.138 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.755 HD11 HG11 ' A' ' 35' ' ' VAL . 54.5 mt -126.1 148.84 49.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.543 -0.753 . . . . 52.41 109.744 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 7.7 mmpt? -113.76 116.77 29.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.553 -0.294 . . . . 74.11 110.537 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.31 62.56 6.16 Favored Glycine 0 N--CA 1.451 -0.347 0 O-C-N 123.707 0.629 . . . . 73.13 113.4 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' CD2' HD13 ' A' ' 24' ' ' LEU . 16.8 tp -121.56 153.73 37.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.887 -0.412 . . . . 43.12 109.887 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.48 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 14.0 t70 -101.33 160.45 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 62.53 109.745 177.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.37 -28.86 69.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.593 -0.276 . . . . 74.52 110.988 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.806 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 8.2 pt-20 -57.92 -42.62 85.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.26 0.552 . . . . 62.33 111.046 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.806 ' HG3' ' HG3' ' A' ' 30' ' ' GLU . 68.2 mt-30 -87.17 -20.97 26.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.696 -0.683 . . . . 62.41 110.922 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.33 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 74.43 111.286 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -53.59 -38.87 64.37 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.904 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -74.6 -33.59 62.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 71.4 110.659 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.755 HG11 HD11 ' A' ' 24' ' ' LEU . 94.8 t -75.81 -50.4 23.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 54.32 111.023 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HB ' HD11 ' A' ' 58' ' ' ILE . 15.2 tt -59.8 -25.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.827 0.346 . . . . 64.42 111.27 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.37 86.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.023 -0.535 . . . . 52.42 111.461 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 35' ' ' VAL . 6.2 p -74.17 -28.31 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.8 0.333 . . . . 53.01 110.628 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.1 mm? -75.78 -55.03 6.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.715 0.293 . . . . 72.22 110.354 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.77 -39.04 87.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.173 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.06 -41.1 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.969 0.414 . . . . 64.31 110.522 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -82.2 0.79 39.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 72.42 111.74 -176.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 66.1 24.52 10.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 54.42 112.088 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 tt -91.01 133.12 33.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.942 -0.762 . . . . 72.34 108.942 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.92 112.03 2.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 61.41 111.158 -175.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.34 132.54 54.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.987 -0.551 . . . . 70.45 110.621 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -127.38 174.35 9.06 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.348 -0.612 . . . . 74.43 109.348 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 130.9 52.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.483 0.183 . . . . 74.42 110.549 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.09 89.81 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.43 -0.582 . . . . 71.13 109.43 168.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -78.16 108.92 11.82 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.654 -0.703 . . . . 74.14 110.553 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -154.88 128.88 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.687 -0.688 . . . . 53.21 109.469 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.1 83.76 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.572 -0.823 . . . . 64.11 112.771 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.951 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -79.26 -9.76 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 73.41 110.797 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -109.24 -44.01 4.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.297 0.57 . . . . 71.1 110.087 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.09 -128.84 9.59 Favored Glycine 0 N--CA 1.443 -0.888 0 N-CA-C 110.395 -1.082 . . . . 73.03 110.395 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -134.76 118.86 17.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.215 0.531 . . . . 73.35 110.013 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 50.3 m -142.52 171.78 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.628 -0.715 . . . . 61.42 110.316 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.527 HG21 ' HG ' ' A' ' 39' ' ' LEU . 35.7 mm -91.02 129.36 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.026 -0.534 . . . . 65.21 110.885 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 20' ' ' ASP . 10.4 t -126.46 131.33 51.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.462 -0.57 . . . . 63.35 109.462 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.6 173.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.053 -0.521 . . . . 63.01 109.831 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.75 130.71 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.304 -0.628 . . . . 64.21 109.304 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.746 ' HG2' ' HG2' ' A' ' 21' ' ' LYS . 40.1 mt-10 -58.97 -39.19 72.27 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.343 0.868 . . . . 71.21 113.343 -171.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 11.2 Cg_endo -57.51 -35.85 98.78 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.588 1.525 . . . . 72.11 112.304 171.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.86 0.81 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.32 111.536 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.94 -29.91 70.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.82 0.343 . . . . 75.23 110.817 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 t -63.54 -27.55 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 73.21 110.878 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.17 -43.24 29.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.8 -0.444 . . . . 62.23 109.8 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.23 -47.96 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.841 -0.618 . . . . 75.44 110.814 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.98 -40.28 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 60.51 111.074 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -68.77 -37.86 79.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 64.45 111.076 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.4 m95 -67.28 -44.31 79.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 74.04 110.452 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 68' ' ' ALA . 39.5 mm -70.89 -23.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 64.44 110.548 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -66.95 -18.59 65.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.245 0.545 . . . . 70.13 110.317 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -93.04 -8.29 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.43 0.633 . . . . 73.21 110.202 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 73.23 110.274 -179.017 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.414 ' N ' ' HG1' ' A' ' 59' ' ' THR . 4.0 p30 . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 113.099 0.777 . . . . 64.33 113.099 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 44.6 mmtm -121.26 135.42 55.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.143 -0.348 . . . . 72.13 111.04 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.11 105.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.49 -0.777 . . . . 71.0 111.093 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 tp -83.52 -40.18 19.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.25 0.548 . . . . 61.23 110.227 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 35' ' ' VAL . 66.9 mt -124.75 145.71 49.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.68 . . . . 74.21 110.201 -176.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -118.85 116.2 26.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.714 0.292 . . . . 73.05 110.788 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.72 46.12 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.722 -0.751 . . . . 71.21 113.325 174.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.571 HD22 HD13 ' A' ' 24' ' ' LEU . 7.4 mp -68.0 141.92 56.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.044 0.422 . . . . 75.41 110.651 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.68 178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.986 -0.552 . . . . 70.42 110.116 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.3 -44.3 95.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 74.2 110.474 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.44 -29.16 70.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.326 -0.852 . . . . 64.43 111.675 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -86.7 -27.95 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.14 0.495 . . . . 74.14 110.663 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.42 65.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 61.23 111.607 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -51.59 -43.49 62.49 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.084 -0.507 . . . . 73.54 111.527 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.69 -35.7 72.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.226 0.536 . . . . 72.23 110.52 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 24' ' ' LEU . 91.6 t -70.53 -45.95 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.586 -0.734 . . . . 73.23 111.209 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 tt -70.57 -26.12 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.73 -0.388 . . . . 75.21 110.594 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 41' ' ' MET . . . -66.82 -53.13 35.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.475 -0.33 . . . . 73.31 110.972 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.09 -28.7 45.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.094 0.473 . . . . 61.1 110.294 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.597 ' HG ' ' CG2' ' A' ' 44' ' ' ILE . 9.2 tp -69.47 -49.22 56.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 74.4 109.914 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -60.55 -29.13 68.96 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.857 -0.61 . . . . 73.14 110.977 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 37' ' ' ALA . 91.2 mtp -62.18 -18.51 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 70.41 111.368 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -104.51 5.9 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.625 -0.261 . . . . 72.04 110.913 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.74 24.71 13.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.103 0.561 . . . . 62.13 111.731 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.692 HD11 ' HB3' ' A' ' 64' ' ' ASP . 11.1 tt -88.3 150.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.63 -0.507 . . . . 73.54 109.63 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.5 tp10 -55.5 143.88 27.88 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 73.31 110.99 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.01 121.65 18.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.261 -0.427 . . . . 72.32 110.914 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.464 ' HB3' HG23 ' A' ' 59' ' ' THR . 17.9 t-20 -132.33 134.66 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 74.14 109.909 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 1.8 mppt? -92.02 122.76 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.761 -0.375 . . . . 73.15 110.695 -177.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.494 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.3 pt -112.56 111.53 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.924 0.392 . . . . 44.31 110.165 173.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -107.78 140.53 40.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.086 -0.507 . . . . 75.31 109.96 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 75.6 m -160.53 146.58 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.839 -0.619 . . . . 74.02 109.879 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.11 -24.89 65.65 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 121.09 -0.576 . . . . 53.32 112.556 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -10.44 40.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 61.44 111.16 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.517 HD21 ' OG ' ' A' ' 57' ' ' SER . 7.6 tt -114.88 -49.91 2.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.84 -0.618 . . . . 71.34 111.336 -170.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.44 -125.04 8.38 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.901 -1.28 . . . . 71.33 109.901 -167.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -130.39 119.17 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.026 0.441 . . . . 52.44 110.603 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.517 ' OG ' HD21 ' A' ' 54' ' ' LEU . 35.5 m -123.31 163.49 20.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.099 0.476 . . . . 65.52 110.913 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.2 mm -109.07 100.86 11.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.458 -0.792 . . . . 62.21 109.061 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.494 ' HB ' HD13 ' A' ' 49' ' ' ILE . 10.2 t -87.65 143.0 27.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 42.14 109.8 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 45' ' ' GLU . 35.9 m -121.51 174.09 6.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 115.822 -0.626 . . . . 73.43 109.98 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -68.3 170.31 8.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 61.35 110.962 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 18.9 mp0 -54.92 -55.63 36.64 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.027 -0.533 . . . . 73.32 112.261 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 53.7 Cg_endo -70.69 -17.2 33.53 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.815 1.677 . . . . 74.33 112.733 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.692 ' HB3' HD11 ' A' ' 44' ' ' ILE . 9.1 m-20 -90.01 -11.33 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.488 -0.324 . . . . 73.23 111.23 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -57.94 -46.16 85.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.426 -0.352 . . . . 73.11 111.473 -174.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -66.19 -29.39 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.878 0.371 . . . . 44.41 111.236 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.76 57.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 52.23 110.444 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.38 -46.9 66.42 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.096 -0.502 . . . . 74.12 111.157 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.61 -39.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 73.51 111.154 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.65 -42.69 91.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.476 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.93 -47.12 78.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 64.25 110.527 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.668 HD12 HG13 ' A' ' 35' ' ' VAL . 30.1 mm -69.5 -28.68 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.05 110.936 -176.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.89 -28.41 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.612 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.4 m -71.61 -22.97 61.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.881 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.4 t80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 72.22 110.993 -176.342 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 121.274 0.559 . . . . 75.45 110.754 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -152.75 114.76 4.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.819 -1.178 . . . . 72.23 107.819 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.18 104.34 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.965 0.888 . . . . 61.13 110.955 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.43 -53.68 7.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.427 -1.261 . . . . 62.55 110.754 -177.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 35' ' ' VAL . 78.1 mt -93.18 -177.59 4.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.635 -0.711 . . . . 73.44 109.765 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -168.54 117.12 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.431 0.457 . . . . 63.21 110.324 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.06 9.6 56.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.573 -0.823 . . . . 72.33 113.31 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 24' ' ' LEU . 6.9 mp -106.28 148.83 27.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.692 0.246 . . . . 74.12 110.46 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.81 176.5 5.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.329 -0.619 . . . . 75.3 109.329 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -65.65 -35.12 79.88 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 122.46 0.304 . . . . 71.45 111.549 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -57.04 -43.23 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.53 111.667 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -86.58 -25.12 25.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.963 0.411 . . . . 74.43 110.588 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -20.08 65.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 60.43 110.601 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.97 -41.35 87.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 73.45 110.334 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.54 -38.8 85.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.262 0.553 . . . . 72.15 110.701 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 38' ' ' VAL . 80.8 t -72.37 -51.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.064 -0.971 . . . . 72.04 111.336 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 tt -70.62 -20.75 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.674 -0.41 . . . . 75.14 111.095 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.26 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.44 -0.346 . . . . 74.54 110.845 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.7 p -70.4 -30.23 42.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 64.31 110.476 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 58' ' ' ILE . 10.3 mp -70.23 -50.47 39.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 74.13 110.781 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.43 -36.1 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.054 -0.521 . . . . 75.25 110.807 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.88 -40.02 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 62.51 111.157 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -84.63 -2.22 57.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 74.43 111.12 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.6 t30 61.76 55.09 2.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.424 0.631 . . . . 72.01 110.997 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 39' ' ' LEU . 15.8 tt -103.73 149.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.917 -0.583 . . . . 72.22 109.608 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.04 101.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.77 141.91 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.815 -0.629 . . . . 55.14 110.8 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.556 ' HB3' HG23 ' A' ' 59' ' ' THR . 13.0 t-20 -126.56 154.91 43.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.613 . . . . 64.05 109.583 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -97.47 123.08 41.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.691 0.281 . . . . 60.41 111.205 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.63 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.0 pt -116.46 114.06 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 72.03 111.479 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -109.8 133.47 53.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 73.22 109.83 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -158.15 153.46 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.323 -0.251 . . . . 65.53 110.323 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.94 98.64 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.129 -0.558 . . . . 61.34 112.9 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -65.47 -25.1 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 73.24 110.716 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 57' ' ' SER . 34.4 tp -102.15 -49.14 4.0 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.727 0.639 . . . . 71.35 112.727 -165.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.68 -108.9 3.61 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.201 -1.159 . . . . 63.54 110.201 -170.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -128.54 126.45 40.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.83 0.347 . . . . 53.12 110.604 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.702 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.9 m -149.81 170.33 19.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.629 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.538 HG21 HD22 ' A' ' 39' ' ' LEU . 5.8 mm -112.21 141.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.441 -0.577 . . . . 75.52 109.441 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.63 ' HB ' HD13 ' A' ' 49' ' ' ILE . 14.8 t -126.74 156.99 40.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.098 -0.334 . . . . 74.31 110.098 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.2 m -141.61 173.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.401 -0.592 . . . . 65.41 109.401 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.33 138.31 32.98 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.669 -0.493 . . . . 75.24 109.669 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.5 tt0 -58.14 -47.21 99.25 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.502 0.556 . . . . 75.33 112.502 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 31.9 Cg_exo -61.88 -14.04 34.43 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.1 1.867 . . . . 72.31 112.841 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.21 3.5 25.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.813 0.34 . . . . 73.35 110.795 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.5 -30.71 71.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.235 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -62.6 -28.66 70.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 64.41 110.977 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.98 62.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.489 -0.323 . . . . 65.05 110.264 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.58 -41.81 70.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.925 -0.579 . . . . 73.01 110.61 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.75 -42.72 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.66 . . . . 73.53 110.944 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -61.27 -42.03 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 61.31 111.034 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -64.21 -48.34 76.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.62 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 68' ' ' ALA . 25.6 mm -71.35 -23.98 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.402 -174.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -61.41 -20.68 63.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.063 0.458 . . . . 74.12 110.615 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -72.47 -19.69 61.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 73.21 110.85 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.3 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.461 . . . . 64.44 110.603 -176.852 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.553 0.216 . . . . 63.33 111.275 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -122.88 110.63 15.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.297 0.57 . . . . 72.33 110.643 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 4.9 mmmp? -136.4 146.78 46.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.346 0.593 . . . . 63.32 111.039 177.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -70.63 109.1 4.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 73.31 110.54 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -93.77 -27.61 16.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 72.31 109.512 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD11 HG21 ' A' ' 35' ' ' VAL . 57.0 mt -138.12 172.14 13.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.413 -0.812 . . . . 72.14 109.52 -176.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -137.73 114.61 10.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.735 0.302 . . . . 74.43 110.518 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.29 28.53 73.67 Favored Glycine 0 CA--C 1.521 0.421 0 CA-C-N 116.051 -0.522 . . . . 50.43 113.836 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 24' ' ' LEU . 8.9 mp -92.8 111.78 23.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.587 0.693 . . . . 75.12 109.479 173.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.33 178.0 4.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.473 -0.33 . . . . 74.34 110.424 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -58.77 -36.21 74.02 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.103 0.408 . . . . 75.04 112.103 -170.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -65.36 -37.4 86.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 74.13 110.856 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -83.97 -34.75 24.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.568 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.08 -20.13 65.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.867 -0.606 . . . . 63.43 110.964 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.522 ' HA ' HG22 ' A' ' 36' ' ' ILE . 2.7 t-20 -60.52 -31.64 70.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.138 -0.483 . . . . 71.35 110.351 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -62.69 -47.91 81.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.367 0.603 . . . . 71.54 110.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 24' ' ' LEU . 84.5 t -73.44 -45.05 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 54.22 111.492 -174.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 33' ' ' ASN . 9.9 tp -62.78 -30.68 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.617 -0.433 . . . . 75.35 110.262 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.88 -51.22 58.02 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.282 -0.417 . . . . 53.35 111.497 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG13 HD22 ' A' ' 39' ' ' LEU . 14.9 p -63.46 -33.08 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.682 0.277 . . . . 74.44 110.892 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.532 HD22 HG13 ' A' ' 38' ' ' VAL . 4.3 mm? -70.83 -52.5 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 54.53 110.556 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.28 -34.08 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 72.33 111.131 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 tpt -56.88 -33.98 67.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.14 111.53 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.518 ' HD2' ' O ' ' A' ' 38' ' ' VAL . 87.1 m-70 -94.44 7.62 44.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.706 -0.225 . . . . 73.21 111.08 -177.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 58.47 55.7 4.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.401 0.619 . . . . 65.21 111.07 176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 64' ' ' ASP . 12.9 tt -120.61 151.33 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.469 -0.567 . . . . 71.15 109.469 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.57 98.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.388 0.43 . . . . 70.25 110.507 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.35 115.98 28.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.085 -0.507 . . . . 74.12 110.229 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -117.03 132.96 56.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.789 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -89.77 118.8 29.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.236 -0.438 . . . . 63.33 110.186 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.518 HD13 ' HB ' ' A' ' 59' ' ' THR . 26.2 pt -113.89 135.27 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 71.43 111.896 -175.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 5.3 p-10 -109.95 139.96 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 73.21 110.076 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 66.8 m -158.41 169.8 23.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.994 -0.373 . . . . 54.04 109.994 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.67 -49.58 23.47 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.045 -0.598 . . . . 72.53 113.697 -174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.247 0.546 . . . . 61.41 110.707 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 6.1 tt -105.95 -40.48 5.68 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.507 -0.77 . . . . 65.43 111.61 -170.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 81.26 -111.23 3.27 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.85 -0.9 . . . . 72.3 110.85 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 20.6 m-85 -119.68 131.53 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.926 0.393 . . . . 73.31 110.115 172.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.448 ' HB2' HD21 ' A' ' 54' ' ' LEU . 66.5 m -150.0 174.24 12.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.792 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.522 HD12 HD13 ' A' ' 36' ' ' ILE . 25.4 mm -116.94 124.72 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.768 -0.651 . . . . 70.03 109.903 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.518 ' HB ' HD13 ' A' ' 49' ' ' ILE . 5.5 t -114.86 162.19 17.23 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.957 -0.757 . . . . 63.15 108.957 176.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.43 174.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.626 -0.261 . . . . 72.23 110.552 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.82 137.44 12.51 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.581 0.551 . . . . 75.03 110.012 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.533 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 22.1 tt0 -55.0 -48.21 96.57 Favored Pre-proline 0 CA--C 1.545 0.759 0 N-CA-C 112.862 0.69 . . . . 74.41 112.862 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 18.0 Cg_exo -67.95 -22.08 42.61 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.957 1.772 . . . . 73.5 112.199 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 44' ' ' ILE . 13.2 m-20 -89.77 11.79 19.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 75.23 111.316 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -50.67 -41.73 55.89 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.959 -0.564 . . . . 63.43 111.592 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 70' ' ' TYR . 2.4 t -61.1 -36.21 79.07 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 63.14 111.708 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.37 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.592 0.234 . . . . 60.15 111.026 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.622 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.31 -56.24 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.738 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG12 ' HE2' ' A' ' 73' ' ' LYS . 28.5 t -63.27 -32.33 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.622 -0.717 . . . . 74.52 110.662 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' THR . 7.1 t80 -65.7 -41.48 92.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 62.45 110.91 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 74' ' ' THR . 5.3 m95 -74.03 -23.39 59.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.376 -0.374 . . . . 72.01 111.218 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 68' ' ' ALA . 42.3 mm -82.43 -11.92 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.514 . . . . 75.41 110.641 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.543 ' HE2' HG12 ' A' ' 69' ' ' VAL . 74.7 mmtt -63.63 -25.23 68.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.215 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 71' ' ' TRP . 14.4 t -88.56 -2.25 58.49 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.971 0.415 . . . . 72.43 110.616 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -109.17 2.37 20.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.238 0.542 . . . . 70.51 110.315 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.878 -0.582 . . . . 73.44 110.062 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 111.739 0.274 . . . . 73.31 111.739 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -103.94 106.2 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.93 -0.308 . . . . 73.53 110.513 -177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HE3' ' OE2' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -119.69 126.43 51.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.095 0.474 . . . . 74.45 110.874 178.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.16 112.78 15.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 63.24 111.37 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.654 HD21 ' HB1' ' A' ' 68' ' ' ALA . 9.0 mp -111.65 -63.92 1.35 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.838 0.351 . . . . 52.43 111.931 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' A' ' 27' ' ' LEU . 58.9 mt -99.03 174.76 6.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 71.01 110.391 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -143.42 115.29 8.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 62.24 110.295 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.48 2.33 90.46 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.817 -0.706 . . . . 73.32 114.01 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 24' ' ' LEU . 7.7 mp -85.03 92.7 8.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 117.469 0.635 . . . . 65.43 110.438 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 18.2 t70 -63.22 167.38 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 64.33 110.033 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -53.0 -34.99 58.83 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.209 0.448 . . . . 64.11 112.209 -172.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.62 -34.49 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.641 0.258 . . . . 71.24 111.175 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -86.82 -38.1 17.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.358 0.599 . . . . 73.02 109.72 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.67 64.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.212 -0.904 . . . . 45.0 111.514 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -46.23 -45.41 16.98 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.665 0.603 . . . . 61.32 111.559 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.68 -41.81 95.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.195 0.521 . . . . 72.43 110.51 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 38' ' ' VAL . 58.4 t -65.95 -52.04 53.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.788 -0.642 . . . . 74.31 111.688 -177.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.3 tt -63.93 -23.79 34.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.1 0.476 . . . . 65.23 110.887 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 54.53 111.614 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.9 p -71.3 -32.76 48.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 120.731 -0.388 . . . . 63.33 110.506 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.59 -50.63 64.39 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.725 -0.472 . . . . 72.44 109.725 175.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.83 -41.13 95.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 71.42 111.301 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -63.2 -38.48 91.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.388 . . . . 62.11 111.184 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -87.34 7.4 29.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.613 -0.267 . . . . 71.55 111.287 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.9 31.59 20.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.376 0.608 . . . . 64.23 111.384 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 tt -104.26 132.53 50.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.226 -0.657 . . . . 65.25 109.226 174.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.88 134.12 49.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.353 0.597 . . . . 65.11 111.627 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.94 148.99 50.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.127 -0.942 . . . . 31.31 110.08 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -128.72 172.36 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.278 -0.419 . . . . 71.15 110.485 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -101.81 132.55 47.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.283 -0.417 . . . . 43.12 110.714 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 59' ' ' THR . 3.0 pt -116.53 120.9 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.974 0.416 . . . . 74.12 111.453 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -103.06 128.91 49.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.76 -0.655 . . . . 63.4 110.244 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.512 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 42.5 m -151.97 153.49 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.512 -0.551 . . . . 63.03 109.512 176.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.81 -49.53 70.08 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.457 0.543 . . . . 51.35 114.457 -172.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -91.5 -11.0 38.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.695 0.748 . . . . 60.22 110.631 -178.032 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.512 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 36.8 tp -81.47 -48.56 11.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 33.11 110.822 -175.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.17 -86.57 1.2 Allowed Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.536 -0.756 . . . . 40.42 111.602 -176.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.608 ' HB2' ' HA ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -139.78 127.53 21.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.665 0.269 . . . . 75.24 110.565 -179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.9 m -151.81 166.5 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.493 -0.322 . . . . 70.52 110.745 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.402 HG13 HG12 ' A' ' 35' ' ' VAL . 20.7 mm -99.35 127.75 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.009 -0.541 . . . . 73.43 109.751 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.484 HG21 HG23 ' A' ' 49' ' ' ILE . 13.3 t -114.28 158.99 20.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.916 0.389 . . . . 34.45 110.099 177.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 68' ' ' ALA . 26.8 m -137.18 175.79 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.732 -0.667 . . . . 75.43 109.555 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.0 147.17 0.52 Allowed 'General case' 0 CA--C 1.531 0.228 0 O-C-N 123.8 0.688 . . . . 63.13 111.141 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 21.3 tp10 -50.46 -54.17 37.83 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 112.881 0.697 . . . . 72.41 112.881 -169.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -85.44 -4.28 9.31 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.424 2.083 . . . . 52.53 113.298 -176.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.81 24.68 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.884 0.373 . . . . 64.21 111.567 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' HB2' ' HG2' ' A' ' 21' ' ' LYS . 79.3 t80 -60.92 -36.43 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.08 -0.509 . . . . 61.24 110.25 176.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.3 m -59.27 -47.9 83.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 64.12 110.777 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.0 78.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.895 -0.593 . . . . 62.2 110.69 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.654 ' HB1' HD21 ' A' ' 23' ' ' LEU . . . -55.53 -49.48 72.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.593 . . . . 65.32 111.271 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 65' ' ' PHE . 84.1 t -63.71 -36.14 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 63.43 111.226 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.3 -37.12 84.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.57 -0.286 . . . . 64.54 110.558 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.418 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.6 m95 -70.63 -29.49 65.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.019 0.438 . . . . 73.21 110.35 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -74.34 -31.0 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.189 0.519 . . . . 74.25 109.815 174.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.31 -35.8 81.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.24 110.4 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.3 p -75.63 -5.48 45.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.903 0.382 . . . . 74.1 111.605 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -96.45 4.8 51.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.055 0.455 . . . . 73.15 110.618 176.248 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.694 -0.67 . . . . 75.15 109.632 178.746 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.709 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 3.3 ttmp? . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.087 0.47 . . . . 61.45 110.064 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -161.39 27.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.409 -0.814 . . . . 73.44 110.271 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -75.44 120.69 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.957 -0.565 . . . . 63.23 110.102 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.527 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 15.4 p-10 -79.01 105.96 10.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.742 0.782 . . . . 62.11 110.912 -177.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 tp -79.75 -22.82 42.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.62 -1.173 . . . . 74.45 110.213 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 35' ' ' VAL . 46.7 mt -135.13 160.51 38.14 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.56 -0.904 . . . . 54.22 108.56 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HE2' ' OD2' ' A' ' 22' ' ' ASP . 86.4 mttt -136.54 116.7 13.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.583 -0.447 . . . . 72.23 111.455 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.64 3.9 87.28 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.668 -0.696 . . . . 72.24 112.863 174.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 24' ' ' LEU . 16.2 tp -77.84 135.74 37.98 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.302 -0.258 . . . . 65.24 110.302 -177.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.528 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 13.8 t70 -80.09 157.51 26.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.293 -0.412 . . . . 74.05 109.921 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.79 -32.53 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.539 -0.3 . . . . 72.44 111.28 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 11.6 pt-20 -67.19 -31.78 72.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.173 0.511 . . . . 71.23 110.699 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -86.69 -26.85 24.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 71.15 110.08 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.85 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.646 -0.706 . . . . 50.54 111.222 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' HA ' HG22 ' A' ' 36' ' ' ILE . 21.7 t-20 -59.23 -39.6 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.345 . . . . 74.32 110.677 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.51 -29.31 67.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.46 . . . . 73.33 110.498 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 24' ' ' LEU . 96.7 t -76.97 -50.63 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 71.31 110.708 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.9 tt -62.61 -22.6 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 71.43 110.505 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.03 79.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 51.04 111.541 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 35' ' ' VAL . 6.3 p -71.29 -29.21 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 121.032 0.444 . . . . 75.01 110.444 -177.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 36' ' ' ILE . 3.0 mm? -75.71 -48.42 22.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 74.04 110.035 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.49 -37.86 88.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 73.32 111.055 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 50.0 tpp -61.54 -34.98 76.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.258 -0.428 . . . . 42.22 111.07 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -92.06 3.12 55.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 72.04 111.193 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 60.05 38.39 20.62 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.147 -0.478 . . . . 70.35 111.845 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.0 tt -99.22 150.2 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.673 -0.492 . . . . 73.54 109.673 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.88 111.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.685 0.278 . . . . 73.34 110.763 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.9 113.98 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.925 0.393 . . . . 64.22 110.605 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.92 149.81 27.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.361 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -97.63 137.29 36.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.686 0.279 . . . . 72.14 110.294 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.835 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.0 OUTLIER -117.72 130.59 72.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.279 -0.419 . . . . 63.33 110.854 178.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.76 118.98 37.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 53.3 111.258 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 55.8 m -158.14 157.61 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.69 -0.485 . . . . 75.32 109.69 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.32 -44.07 67.25 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.934 -0.651 . . . . 75.11 112.375 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -9.65 46.16 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.117 0.484 . . . . 71.01 111.079 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.639 HD11 HD12 ' A' ' 49' ' ' ILE . 9.8 tt -113.9 -51.87 2.77 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.705 -0.679 . . . . 65.14 111.713 -166.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -113.32 3.84 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.624 -0.99 . . . . 74.12 110.624 -173.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -128.01 120.42 27.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.865 0.364 . . . . 74.22 110.129 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.446 ' HA ' HD12 ' A' ' 24' ' ' LEU . 62.2 m -136.58 169.72 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.131 0.491 . . . . 72.05 111.044 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mm -109.19 109.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.078 -0.965 . . . . 71.14 109.606 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.835 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.0 t -99.16 142.25 30.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.219 0.533 . . . . 61.22 110.132 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.07 173.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.426 -0.806 . . . . 61.23 109.237 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . . . -56.99 144.09 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.275 0.36 . . . . 62.42 110.398 175.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 14.0 mp0 -53.69 -47.58 96.15 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.009 -0.541 . . . . 73.22 112.363 -176.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 16.7 Cg_endo -58.83 -39.81 78.14 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.934 1.756 . . . . 63.52 112.702 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.62 0.14 56.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.477 -0.329 . . . . 52.34 111.437 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 57.8 t80 -61.92 -31.53 71.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.658 -178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.401 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 5.4 t -59.84 -39.8 86.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 42.11 110.873 177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.61 97.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.344 -0.389 . . . . 64.02 110.438 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.26 -39.46 82.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.942 -0.572 . . . . 62.05 110.636 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' PHE . 72.1 t -61.06 -44.07 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 72.11 110.62 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 66' ' ' THR . 53.9 m-85 -61.84 -41.08 97.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 74.04 111.052 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.402 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.6 m95 -62.25 -45.65 92.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.753 0.311 . . . . 75.4 110.703 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' ALA . 40.4 mm -68.55 -34.26 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 64.43 110.499 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 55.1 mmtt -64.98 -16.8 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 44.22 111.307 175.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 m -90.01 -20.53 23.15 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.246 0.546 . . . . 71.04 110.299 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -88.86 -43.6 11.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.13 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.608 -0.71 . . . . 75.41 109.807 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.5 mttt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 108.857 -0.794 . . . . 73.42 108.857 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -168.46 25.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.64 -0.709 . . . . 72.34 111.19 -165.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.2 117.09 29.66 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.987 0.422 . . . . 72.1 111.568 -171.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.86 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 1.8 m-20 -60.86 105.83 0.51 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.466 -0.788 . . . . 74.03 110.676 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -90.23 -62.45 1.46 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.331 0.586 . . . . 61.32 109.878 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 HD22 ' A' ' 27' ' ' LEU . 34.8 mt -112.16 138.55 48.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.532 -0.758 . . . . 73.41 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.86 ' HD2' ' HB3' ' A' ' 22' ' ' ASP . 3.7 mppt? -124.83 116.89 22.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.647 0.26 . . . . 63.54 110.862 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.92 8.42 51.23 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.845 -0.693 . . . . 65.52 112.895 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.524 HD22 HD13 ' A' ' 24' ' ' LEU . 7.5 mp -102.36 131.06 49.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 74.3 111.0 -178.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -82.53 170.99 14.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.111 -0.7 . . . . 44.42 109.111 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -59.59 -33.75 71.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.986 0.365 . . . . 74.45 111.986 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.823 0.344 . . . . 63.23 111.121 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -86.12 -41.23 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 70.1 109.721 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.98 -18.46 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.459 -0.791 . . . . 71.21 110.713 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.536 ' HA ' HG22 ' A' ' 36' ' ' ILE . 24.4 t-20 -51.65 -39.02 57.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.783 -0.644 . . . . 74.13 110.877 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.48 -35.79 70.65 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.628 -0.715 . . . . 73.34 111.005 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.452 HG11 HD11 ' A' ' 24' ' ' LEU . 88.1 t -87.64 -49.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.387 -0.824 . . . . 61.31 111.511 -174.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' HA ' ' A' ' 33' ' ' ASN . 13.5 tt -57.36 -33.62 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.803 0.335 . . . . 74.25 111.389 -175.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.16 81.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 63.14 110.775 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -62.82 -46.8 95.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.76 -0.655 . . . . 63.5 111.098 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.3 mm? -63.71 -47.85 79.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.09 -0.505 . . . . 72.2 110.702 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 45.8 mt-30 -63.98 -32.13 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 54.24 110.556 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 ttm -64.55 -29.96 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 72.4 111.128 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -97.48 6.13 48.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.352 -0.385 . . . . 74.01 111.313 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t30 54.2 43.18 30.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.639 -0.71 . . . . 70.31 110.759 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.441 HG21 HD12 ' A' ' 39' ' ' LEU . 12.5 tt -102.96 138.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.798 -0.816 . . . . 65.13 108.798 174.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.27 109.0 2.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.056 -0.52 . . . . 60.23 111.495 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB1' HG23 ' A' ' 58' ' ' ILE . . . -104.52 131.01 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.863 -0.608 . . . . 70.44 110.917 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.563 ' HB2' HG23 ' A' ' 59' ' ' THR . 41.4 m-80 -111.51 154.61 24.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 43.21 109.577 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -100.9 113.88 27.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.816 0.341 . . . . 60.12 110.789 -172.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.65 HD13 ' HB ' ' A' ' 59' ' ' THR . 11.4 pt -115.59 117.44 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 74.33 111.052 177.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -110.64 141.45 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.348 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.436 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 70.2 m -162.22 165.35 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.995 -0.372 . . . . 72.43 109.995 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.37 -43.06 71.82 Favored Glycine 0 C--O 1.23 -0.139 0 C-N-CA 120.729 -0.748 . . . . 75.2 111.851 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -70.31 -15.04 62.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.14 0.495 . . . . 64.23 111.369 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 28.7 tp -113.93 -47.19 2.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.817 -0.628 . . . . 75.01 112.102 -164.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.76 -122.57 6.58 Favored Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 109.854 -1.298 . . . . 73.12 109.854 -169.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.03 118.36 26.8 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.236 -0.653 . . . . 73.31 109.236 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.64 164.2 18.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.034 0.445 . . . . 72.4 111.594 -172.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 39' ' ' LEU . 37.6 mm -106.93 103.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.416 -0.811 . . . . 74.43 109.868 177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.65 ' HB ' HD13 ' A' ' 49' ' ' ILE . 13.2 t -99.2 134.07 42.59 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.231 -0.655 . . . . 75.42 109.231 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -113.76 175.86 2.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.496 -0.557 . . . . 75.41 109.496 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 64' ' ' ASP . . . -44.39 137.89 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.739 0.649 . . . . 72.22 110.664 176.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.573 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 1.9 tp10 -52.17 -52.6 60.85 Favored Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.534 0.568 . . . . 74.15 112.534 -170.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 11.8 Cg_exo -72.46 -19.34 25.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.958 1.772 . . . . 64.24 112.163 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . 14.0 m-20 -90.48 2.14 56.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 71.21 111.209 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -60.65 -27.92 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.413 . . . . 70.21 110.129 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.411 ' O ' ' HD2' ' A' ' 70' ' ' TYR . 3.8 t -56.05 -41.32 74.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.633 -0.712 . . . . 74.21 110.875 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.3 69.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 63.31 110.825 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.46 -46.16 66.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.879 -0.6 . . . . 73.15 111.386 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.25 -42.29 86.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.212 -0.449 . . . . 75.51 111.39 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.411 ' HD2' ' O ' ' A' ' 66' ' ' THR . 60.7 m-85 -77.19 -22.34 52.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.33 -0.395 . . . . 75.51 112.035 -176.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.439 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 1.6 m95 -70.59 -33.53 71.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.694 -0.484 . . . . 74.02 109.694 174.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 68' ' ' ALA . 26.2 mm -67.87 -25.35 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.357 0.598 . . . . 55.21 109.827 176.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 70' ' ' TYR . 74.0 mmtt -65.53 -16.7 63.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.587 -0.733 . . . . 75.5 111.32 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -89.76 -4.3 57.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.507 . . . . 74.42 110.593 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -90.36 88.11 7.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.279 0.562 . . . . 65.11 109.702 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 C--O 1.253 1.248 0 CA-C-N 115.626 -0.715 . . . . 73.11 110.455 -177.13 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mttp . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.993 0.425 . . . . 75.1 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.43 60.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.428 0.632 . . . . 72.33 110.27 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.78 123.62 38.35 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.336 -0.616 . . . . 74.34 109.336 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -74.67 104.46 5.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.599 -0.519 . . . . 72.22 109.599 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 tp -96.4 -31.49 12.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.033 -0.531 . . . . 74.21 110.395 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 35' ' ' VAL . 47.3 mt -128.0 162.38 26.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.53 -0.915 . . . . 51.0 108.53 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -135.43 115.79 13.54 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.704 -0.398 . . . . 71.34 111.412 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.09 10.03 86.52 Favored Glycine 0 CA--C 1.52 0.369 0 CA-C-N 115.97 -0.559 . . . . 73.24 114.188 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD22 HD13 ' A' ' 24' ' ' LEU . 9.5 mp -78.45 155.75 29.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.412 0.625 . . . . 71.3 111.813 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -98.63 170.62 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.237 -0.892 . . . . 63.13 110.538 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -46.16 71.16 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.559 0.743 . . . . 73.43 112.04 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.66 -29.87 68.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.317 . . . . 72.12 111.267 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -77.43 -41.09 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.368 0.604 . . . . 75.44 109.756 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.64 -20.67 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.504 -0.771 . . . . 64.21 110.801 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.61 -43.98 96.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 74.43 110.392 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.51 -40.96 93.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.175 0.512 . . . . 62.51 110.286 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 24' ' ' LEU . 45.9 t -65.37 -49.18 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 72.34 111.254 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.3 tt -63.25 -29.32 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.703 -0.226 . . . . 74.43 110.808 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.88 94.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.013 0.435 . . . . 42.33 110.135 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.01 -43.48 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 75.13 110.48 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.74 -45.96 73.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 54.45 110.577 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.77 -41.58 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 63.12 111.595 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ptp -70.74 -13.49 62.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 71.12 110.667 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -97.24 1.2 49.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.452 -0.34 . . . . 75.24 110.124 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 61.15 28.19 17.88 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 73.21 111.947 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.5 tt -97.19 149.42 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.366 -0.379 . . . . 74.04 110.224 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.38 104.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 71.13 110.47 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.51 129.01 56.49 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.113 -0.494 . . . . 51.21 110.925 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -116.92 151.17 37.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 64.42 109.743 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.29 117.0 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.395 -0.366 . . . . 73.05 110.202 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 pt -96.87 116.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.347 0.594 . . . . 64.13 111.026 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.99 104.51 13.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.236 -0.893 . . . . 71.12 109.743 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -142.84 142.99 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 73.23 110.379 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.03 -29.72 75.24 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 121.3 -0.476 . . . . 44.43 113.152 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 54' ' ' LEU . 44.3 pttt -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 74.41 111.499 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 16.1 tp -113.63 -30.92 6.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.195 -0.457 . . . . 53.01 112.113 -165.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.93 -117.51 5.61 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.541 -0.838 . . . . 74.03 111.074 -175.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -122.89 121.6 36.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 72.44 110.049 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 24' ' ' LEU . 51.1 m -149.47 166.67 28.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.01 0.433 . . . . 73.25 111.056 -178.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.2 mm -99.41 152.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.725 -0.67 . . . . 72.21 109.489 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 t -145.16 162.62 36.63 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.005 -0.739 . . . . 60.2 109.005 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.8 m -125.98 173.17 12.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.604 0.24 . . . . 51.24 110.542 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 169.19 6.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.031 -0.532 . . . . 62.42 110.573 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 1.5 mp0 -57.01 -54.07 58.48 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 112.447 0.536 . . . . 74.32 112.447 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 7.9 Cg_exo -73.05 -21.43 20.64 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.313 2.009 . . . . 70.44 112.79 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 44' ' ' ILE . 3.6 m-20 -90.2 7.06 40.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.114 -0.494 . . . . 71.5 111.457 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.08 -39.62 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 73.15 111.947 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -68.4 -24.96 64.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.378 -0.374 . . . . 54.44 111.754 -174.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -38.46 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.323 -0.235 . . . . 74.21 111.123 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.01 -40.57 67.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.95 -0.568 . . . . 70.32 111.823 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.02 -49.1 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 50.1 111.459 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -71.18 -27.96 63.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.383 -0.371 . . . . 74.21 111.821 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.44 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 2.4 m95 -73.24 -35.75 66.31 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.604 -0.438 . . . . 73.12 110.252 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.3 mm -73.01 -33.61 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 53.54 110.009 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -59.75 -24.42 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.789 -0.641 . . . . 70.33 110.424 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -93.53 -9.28 38.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.979 -0.555 . . . . 72.22 111.002 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -77.8 -44.94 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.431 -0.349 . . . . 75.24 110.595 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.688 -0.672 . . . . 72.14 109.695 179.261 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.078 -0.712 . . . . 65.54 109.078 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' HG21 ' A' ' 49' ' ' ILE . 16.9 m-20 69.86 30.34 3.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.272 0.558 . . . . 61.31 110.683 174.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -76.39 131.05 38.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.646 -0.706 . . . . 70.11 109.677 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.98 105.28 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.381 -0.6 . . . . 60.03 109.381 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.1 tp -94.64 -39.31 10.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 75.5 110.983 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.591 HD11 HG11 ' A' ' 35' ' ' VAL . 82.6 mt -121.16 161.78 21.24 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.526 -0.546 . . . . 73.22 109.526 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -124.82 115.95 21.49 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.886 -0.326 . . . . 71.34 110.959 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.63 46.88 80.62 Favored Glycine 0 C--N 1.33 0.227 0 O-C-N 123.82 0.7 . . . . 41.32 113.73 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 33.6 tp -113.22 128.04 56.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.911 -0.404 . . . . 72.44 109.911 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -78.74 157.84 28.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.689 0.281 . . . . 71.32 110.557 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.621 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 52.9 tt0 -60.73 -30.32 69.91 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.164 -0.471 . . . . 74.32 112.224 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.8 -42.02 88.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.896 0.379 . . . . 74.23 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -87.11 -27.29 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.09 0.472 . . . . 63.22 110.634 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -65.69 -19.81 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.977 -0.556 . . . . 62.3 110.928 177.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -55.27 -38.69 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 72.33 110.78 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -72.5 -22.39 61.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.812 -0.631 . . . . 72.45 110.652 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.2 t -88.92 -51.56 12.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.71 -0.677 . . . . 72.31 110.884 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.11 -26.15 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 72.33 111.335 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.25 85.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 44.43 111.526 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.5 p -73.05 -20.01 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.941 0.4 . . . . 51.21 110.862 -176.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.1 mm? -83.29 -58.66 2.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 63.03 110.156 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.75 -43.62 98.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.669 -0.696 . . . . 63.55 112.004 -172.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.26 -26.85 68.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 73.3 111.486 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -96.77 6.57 48.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.835 0.35 . . . . 74.02 110.675 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.7 m120 62.25 27.27 16.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.589 -0.732 . . . . 32.04 112.522 172.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 39' ' ' LEU . 12.2 tt -84.68 151.93 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.738 -0.838 . . . . 64.22 108.738 172.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.0 tp10 -54.26 100.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.846 0.355 . . . . 74.24 110.488 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -111.7 114.02 26.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.184 -0.462 . . . . 72.23 110.619 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.625 ' HB3' HG23 ' A' ' 59' ' ' THR . 15.2 t-20 -123.7 155.61 37.51 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.236 -0.654 . . . . 71.14 109.236 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -111.69 111.65 22.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.788 0.328 . . . . 73.12 110.633 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 59' ' ' THR . 8.3 pt -99.0 130.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 64.11 111.365 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -109.39 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.659 -0.7 . . . . 64.34 109.166 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.475 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.6 m -148.87 151.96 35.62 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.223 -0.288 . . . . 72.5 110.223 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.15 99.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.138 -0.553 . . . . 72.02 112.965 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -82.66 -11.74 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 75.0 111.087 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 15.0 tp -113.98 -50.2 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.262 -0.426 . . . . 75.44 112.052 -166.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.1 -105.38 3.27 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.827 -0.701 . . . . 44.4 111.774 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.568 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 73.5 m-85 -116.89 122.85 45.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.739 0.304 . . . . 74.41 110.594 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 74.5 m -150.08 160.24 43.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.99 0.424 . . . . 73.12 110.959 174.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.465 HG21 ' HG ' ' A' ' 39' ' ' LEU . 24.3 mm -102.16 130.31 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.592 -0.731 . . . . 54.32 109.343 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.625 HG23 ' HB3' ' A' ' 47' ' ' ASN . 11.1 t -116.92 143.49 45.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.071 0.462 . . . . 54.33 109.859 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 33.8 m -114.26 173.09 3.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.423 -0.808 . . . . 54.33 109.187 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB3' ' OD2' ' A' ' 64' ' ' ASP . . . -60.5 152.38 26.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.748 -0.464 . . . . 71.2 109.748 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.3 tt0 -52.8 -51.45 73.94 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 74.13 112.771 -173.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 12.9 Cg_exo -70.66 -13.56 32.52 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 75.2 112.786 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 61' ' ' ALA . 32.7 m-20 -97.13 2.41 51.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 73.23 111.346 -175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.63 -34.41 74.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.383 . . . . 72.23 110.943 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -58.68 -32.84 69.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.883 -0.599 . . . . 74.3 111.425 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.74 -35.31 26.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.318 . . . . 51.33 110.56 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.572 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.02 -50.06 69.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.113 -0.494 . . . . 55.3 111.003 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 57.7 t -61.32 -38.2 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 55.54 110.665 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -63.58 -38.82 92.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 71.44 110.615 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.2 m95 -69.54 -37.54 77.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.902 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 68' ' ' ALA . 36.3 mm -65.76 -28.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.194 0.521 . . . . 53.21 110.045 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 71.1 mmtt -70.99 -17.17 62.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 62.3 111.199 178.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 m -86.23 -8.89 57.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.229 0.538 . . . . 73.15 110.477 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -71.82 138.42 48.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 74.53 109.765 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.563 -0.732 . . . . 71.43 110.87 -176.147 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HE2' ' HB2' ' A' ' 19' ' ' LYS . 5.9 tppt? . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.646 -0.501 . . . . 75.14 109.646 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.21 34.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.385 0.513 . . . . 75.52 112.385 -168.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.764 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -85.5 116.17 23.65 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.547 -0.461 . . . . 72.23 110.193 179.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -69.89 124.83 25.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.119 -0.491 . . . . 71.44 110.844 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 58' ' ' ILE . 45.2 tp -106.5 -23.34 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 51.24 110.294 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.755 HD11 HG11 ' A' ' 35' ' ' VAL . 44.3 mt -140.08 160.42 39.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.009 -176.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -129.24 115.68 18.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.708 0.289 . . . . 62.3 110.892 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.28 51.72 52.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.121 -0.561 . . . . 64.35 113.549 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 24' ' ' LEU . 8.6 mp -109.85 149.85 29.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.941 0.4 . . . . 70.1 110.187 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.14 172.8 7.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.962 -0.563 . . . . 73.54 110.038 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -58.87 -39.47 81.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.386 -0.37 . . . . 63.54 111.324 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.7 -30.9 71.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.798 0.332 . . . . 63.13 111.076 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -78.24 -42.69 30.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 71.33 109.972 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.47 -20.1 66.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 43.0 111.398 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -57.48 -44.74 85.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 70.25 110.993 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -74.62 -33.32 62.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.205 0.526 . . . . 54.51 110.223 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.755 HG11 HD11 ' A' ' 24' ' ' LEU . 76.3 t -66.55 -50.71 64.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.544 -0.753 . . . . 71.32 111.459 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 tt -67.28 -23.8 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.963 0.411 . . . . 71.21 110.649 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.65 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 74.32 111.516 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.6 p -71.28 -29.63 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-O 120.79 0.329 . . . . 74.32 110.824 -177.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 38' ' ' VAL . 3.4 mm? -71.31 -51.75 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 60.13 110.048 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.73 -31.22 72.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 74.44 110.616 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.2 ttt -58.81 -34.82 71.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.938 -0.574 . . . . 74.33 110.887 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -96.55 16.69 18.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.441 . . . . 71.23 111.303 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 m120 62.89 19.33 11.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.913 0.709 . . . . 75.54 112.913 171.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.7 tt -97.67 129.57 47.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.524 -0.547 . . . . 72.42 109.524 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 2.2 pm0 -66.76 122.6 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 71.43 111.339 -176.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.58 128.99 55.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.119 -0.946 . . . . 41.34 110.512 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.9 m120 -107.27 175.94 5.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.74 -0.664 . . . . 71.44 110.165 178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -111.04 121.44 45.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.117 -0.492 . . . . 71.22 111.148 -173.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 59' ' ' THR . 3.7 pt -109.19 106.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.093 0.473 . . . . 74.2 109.841 170.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -109.44 142.35 40.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.63 -0.714 . . . . 73.4 110.532 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 50.7 m -154.69 159.67 40.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 51.11 109.746 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.44 97.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.115 -0.564 . . . . 62.42 112.818 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 5.1 tptm -90.05 -39.44 12.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.657 0.265 . . . . 53.52 111.089 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 17.9 tp -70.41 -32.44 70.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.43 -0.35 . . . . 74.34 111.268 -174.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.36 -129.12 9.13 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.734 -0.745 . . . . 75.13 111.591 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.72 119.36 38.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.896 0.379 . . . . 64.41 110.058 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 24' ' ' LEU . 60.5 m -136.88 158.85 43.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.377 -0.374 . . . . 75.41 110.343 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' HD23 ' A' ' 23' ' ' LEU . 42.4 mm -101.38 126.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.596 -177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.464 ' CG2' HG23 ' A' ' 49' ' ' ILE . 10.3 t -113.08 136.54 52.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.741 -0.837 . . . . 64.21 108.741 170.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 68' ' ' ALA . 34.7 m -113.47 175.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 N-CA-C 109.159 -0.682 . . . . 74.34 109.159 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.99 114.22 0.58 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 108.918 -0.771 . . . . 52.32 108.918 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -54.44 -44.21 98.62 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.021 0.748 . . . . 64.42 113.021 -168.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.77 -17.71 56.5 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 121.914 1.743 . . . . 74.44 112.844 175.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.3 16.91 22.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.429 -0.351 . . . . 64.11 110.97 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -59.71 -27.7 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.047 0.451 . . . . 73.32 110.669 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -55.59 -37.68 68.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.738 -0.665 . . . . 74.44 111.115 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.71 69.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.373 -0.376 . . . . 72.41 110.429 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.65 -50.49 65.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.993 -0.549 . . . . 44.21 110.814 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.62 -42.37 93.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.821 -0.627 . . . . 74.35 110.896 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -66.11 -40.04 90.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 75.33 111.156 -176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.4 m95 -69.27 -44.18 72.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.955 -0.298 . . . . 64.24 110.647 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.52 ' CD1' HG13 ' A' ' 35' ' ' VAL . 41.9 mm -68.98 -27.69 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.1 110.943 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 12.7 tppt? -64.83 -22.85 67.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.262 0.553 . . . . 71.34 110.162 177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 m -90.55 -9.02 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.551 -0.75 . . . . 72.15 110.673 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -77.53 91.12 3.92 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.571 -0.529 . . . . 74.01 109.571 175.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.06 -0.971 . . . . 75.42 109.628 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.624 ' HD3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.802 0.334 . . . . 64.11 110.622 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -130.64 22.79 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.0 0.429 . . . . 74.13 111.203 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -79.38 123.0 27.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.221 -0.445 . . . . 72.41 109.868 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 5.1 p-10 -77.57 124.56 28.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.442 0.639 . . . . 73.13 110.551 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 tp -95.37 -24.0 16.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.32 -0.854 . . . . 73.54 110.845 -176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.582 HD13 HD22 ' A' ' 27' ' ' LEU . 50.7 mt -127.69 167.78 15.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 73.33 110.035 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.634 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 11.3 mmpt? -118.28 115.44 24.72 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 122.91 0.131 . . . . 64.0 111.327 -176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.472 ' H ' HD12 ' A' ' 54' ' ' LEU . . . 49.32 66.51 2.18 Favored Glycine 0 C--N 1.335 0.514 0 O-C-N 123.615 0.572 . . . . 44.34 114.52 172.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' ' 24' ' ' LEU . 3.8 mp -113.38 139.43 48.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.959 0.409 . . . . 71.04 111.305 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 17.6 t70 -78.97 165.13 23.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.804 -0.635 . . . . 71.44 109.436 174.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -56.92 -38.33 72.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.626 -0.261 . . . . 75.51 111.548 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HG2' ' OD1' ' A' ' 28' ' ' ASP . 6.8 pt-20 -67.36 -37.8 83.77 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.959 -0.296 . . . . 75.42 111.1 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -72.79 -37.47 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.996 0.427 . . . . 64.42 110.549 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.94 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 53.44 111.082 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.563 ' HA ' HG22 ' A' ' 36' ' ' ILE . 27.8 t-20 -60.26 -35.99 76.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.147 -0.478 . . . . 65.33 110.608 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.6 -37.99 85.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.933 -0.576 . . . . 63.13 110.716 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 24' ' ' LEU . 88.9 t -81.78 -46.32 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.63 . . . . 75.31 111.348 -176.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.563 HG22 ' HA ' ' A' ' 33' ' ' ASN . 16.0 tt -62.49 -29.29 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.717 0.294 . . . . 61.31 110.912 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.26 98.33 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.198 -0.455 . . . . 64.35 110.154 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' CE1' ' A' ' 42' ' ' HIS . 4.7 t -61.73 -48.54 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.559 . . . . 50.31 110.945 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' HG21 ' A' ' 58' ' ' ILE . 4.4 mm? -55.48 -52.78 62.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.593 0.235 . . . . 71.51 110.955 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 13.3 mm-40 -68.48 -30.08 68.85 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.715 0.265 . . . . 64.33 111.715 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.9 tpt -69.76 -19.8 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 62.01 110.529 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.427 ' CE1' HG13 ' A' ' 38' ' ' VAL . 64.4 m80 -98.29 7.04 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.549 . . . . 74.4 110.505 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 59.83 31.26 20.68 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.637 -0.71 . . . . 71.2 112.097 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.74 144.95 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.989 -0.374 . . . . 72.05 109.989 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.77 132.68 53.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.009 -0.541 . . . . 73.34 111.042 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -124.86 114.74 19.61 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.535 -0.757 . . . . 74.31 109.631 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.96 154.9 19.49 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.583 -0.525 . . . . 73.42 109.583 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -95.96 144.28 26.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.875 0.369 . . . . 72.51 110.396 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 22' ' ' ASP . 1.2 pt -120.2 89.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.331 0.586 . . . . 44.11 109.828 171.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -83.48 117.17 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.543 -0.753 . . . . 73.15 110.53 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -154.2 140.24 18.34 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.393 -0.822 . . . . 60.44 109.852 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.82 80.21 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 121.106 -0.568 . . . . 65.35 112.398 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -63.49 -26.81 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.595 0.358 . . . . 74.04 111.856 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 57' ' ' SER . 43.9 tp -114.68 -52.39 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.492 0.553 . . . . 53.23 112.492 -169.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.9 -115.15 4.57 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.604 -0.998 . . . . 61.21 110.604 -171.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.06 122.08 31.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.075 0.464 . . . . 74.4 110.822 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.549 ' HB2' HD21 ' A' ' 54' ' ' LEU . 68.0 m -149.71 170.77 17.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 62.43 110.369 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 36' ' ' ILE . 21.5 mm -95.49 143.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.206 -0.452 . . . . 53.43 110.635 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.462 HG21 HG23 ' A' ' 49' ' ' ILE . 5.3 t -135.91 163.13 30.97 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.794 -0.817 . . . . 74.01 108.794 171.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.51 172.91 13.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.77 0.319 . . . . 73.04 110.773 -176.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.624 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . . . -68.86 160.48 30.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 71.31 110.108 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 23.6 mp0 -53.9 -52.51 67.23 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.442 0.534 . . . . 71.33 112.442 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 71.5 Cg_endo -74.59 -8.17 20.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.834 1.69 . . . . 72.32 113.166 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.539 ' OD1' ' HB3' ' A' ' 61' ' ' ALA . 10.1 m-20 -98.76 -0.23 43.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.841 0.353 . . . . 55.15 110.408 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.81 -47.42 77.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.81 -0.632 . . . . 60.44 111.782 -176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -61.65 -37.26 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 75.35 111.45 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.63 94.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.468 -0.333 . . . . 61.44 110.844 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.554 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.8 -41.8 74.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 41.52 110.927 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 61.2 t -61.2 -46.97 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 72.1 111.073 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -60.71 -41.02 94.41 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.317 -0.402 . . . . 74.53 111.44 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.4 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.5 m95 -68.55 -39.14 81.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.59 -0.277 . . . . 75.01 110.787 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.0 mm -65.58 -38.65 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.653 -0.249 . . . . 74.31 111.016 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 42.0 mtmt -58.8 -33.22 70.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.517 . . . . 73.14 110.511 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 m -86.4 -15.87 39.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.589 -0.732 . . . . 60.04 110.551 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -80.32 -43.94 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.721 -0.672 . . . . 75.34 110.974 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.636 -0.697 . . . . 73.21 110.869 -176.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.942 ' HD3' ' H ' ' A' ' 20' ' ' ASP . 4.2 tmtt? . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.351 -0.611 . . . . 61.11 109.351 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.942 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 1.9 m-20 -67.16 82.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.307 0.379 . . . . 73.03 111.9 -176.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -101.7 113.82 27.31 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.233 -1.025 . . . . 72.31 108.233 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.62 106.17 14.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.814 0.816 . . . . 72.12 111.156 -172.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.013 HD21 HG13 ' A' ' 72' ' ' ILE . 58.8 tp -80.3 -55.05 5.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.884 -1.053 . . . . 53.35 110.007 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 57' ' ' SER . 51.2 mt -92.36 164.84 13.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 73.42 109.766 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -140.46 115.8 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.162 -0.31 . . . . 70.33 110.162 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.8 25.7 62.04 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.848 -0.691 . . . . 55.25 113.683 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.573 HD22 HD13 ' A' ' 24' ' ' LEU . 10.1 mp -102.66 151.74 22.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.177 0.488 . . . . 73.12 110.909 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -101.46 176.12 5.34 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.172 -0.677 . . . . 62.35 109.172 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -62.73 -37.1 85.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.444 0.298 . . . . 75.13 110.808 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.17 -37.67 80.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 73.42 111.577 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.508 ' HG3' HD23 ' A' ' 27' ' ' LEU . 52.8 tp60 -86.59 -33.32 20.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 71.34 110.406 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -27.69 69.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 43.45 110.533 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 74.51 110.963 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.49 -29.23 66.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.533 . . . . 64.23 110.33 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 HD12 ' A' ' 72' ' ' ILE . 78.3 t -77.67 -51.43 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.377 -0.828 . . . . 64.02 110.933 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' HA ' HD23 ' A' ' 39' ' ' LEU . 14.3 tt -65.38 -20.76 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.025 0.441 . . . . 65.04 110.711 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.47 -37.09 77.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 55.3 111.274 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.3 p -74.59 -27.93 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 120.863 -0.335 . . . . 75.32 110.528 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 36' ' ' ILE . 3.1 mm? -73.52 -43.91 58.94 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.506 -0.553 . . . . 63.22 109.506 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.78 -44.55 93.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.616 -0.72 . . . . 73.12 110.389 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.8 tpt -68.6 -20.71 64.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 61.33 110.731 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -93.89 2.41 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.873 0.368 . . . . 65.51 110.18 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 62.58 33.36 15.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.526 -0.761 . . . . 60.44 111.942 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 tt -113.73 131.94 64.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.958 -0.386 . . . . 64.11 109.958 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.48 130.99 38.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.356 0.598 . . . . 71.14 111.098 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 151.8 35.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 43.23 110.423 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.404 ' HB2' HG23 ' A' ' 59' ' ' THR . 16.1 m120 -105.89 163.2 12.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.223 -0.444 . . . . 62.21 110.376 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -104.3 125.32 50.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.104 -0.498 . . . . 72.11 110.901 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.544 HG21 ' HA ' ' A' ' 20' ' ' ASP . 6.9 pt -115.13 102.69 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.221 0.534 . . . . 75.0 110.626 174.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -100.41 128.85 46.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.675 -0.693 . . . . 64.13 110.616 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.435 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 44.7 m -152.85 152.41 31.53 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.204 -0.665 . . . . 74.02 109.204 176.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.09 -46.61 94.2 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.047 -0.597 . . . . 71.1 113.345 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -78.06 -10.26 59.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.907 0.384 . . . . 73.52 111.127 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 41.5 tp -105.62 -46.53 4.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 73.11 111.334 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.9 -128.56 8.99 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.475 -0.65 . . . . 62.23 111.475 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -106.69 119.49 39.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.911 0.386 . . . . 75.22 110.247 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 24' ' ' LEU . 53.6 m -139.96 155.89 46.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.114 -0.493 . . . . 62.14 110.915 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.402 HD11 ' HB ' ' A' ' 36' ' ' ILE . 43.1 mm -95.97 134.73 32.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 75.41 109.885 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.405 HG21 HG23 ' A' ' 49' ' ' ILE . 2.4 t -130.98 161.85 31.03 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.934 -0.395 . . . . 63.12 109.934 174.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 m -141.92 173.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.406 -0.59 . . . . 61.11 109.406 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.27 140.78 16.16 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.459 0.474 . . . . 51.41 110.517 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 2.6 mp0 -45.38 -52.18 23.22 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.218 0.821 . . . . 73.25 113.218 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 15.3 Cg_exo -68.96 -23.95 33.94 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.985 1.79 . . . . 63.52 112.683 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -87.56 2.49 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 74.15 111.074 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -57.57 -36.41 71.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.903 -0.59 . . . . 73.52 110.954 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -60.07 -28.91 68.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.853 -0.612 . . . . 74.52 111.483 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.56 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 73.32 110.449 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.68 -49.3 70.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.885 -0.598 . . . . 64.15 110.908 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.29 -40.55 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.509 . . . . 70.24 110.775 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -64.27 -47.59 78.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 74.4 111.063 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -67.42 -40.48 85.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 72.53 111.047 -177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.013 HG13 HD21 ' A' ' 23' ' ' LEU . 39.9 mm -71.71 -31.22 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.855 0.359 . . . . 73.13 110.97 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.03 -25.46 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.332 0.587 . . . . 63.33 110.063 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -77.34 -24.85 50.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.847 -0.615 . . . . 74.55 110.634 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -71.88 -38.93 69.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.329 -0.396 . . . . 65.22 110.893 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.715 -0.66 . . . . 65.31 110.464 -176.568 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 119.954 -0.069 . . . . 71.44 111.082 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 68.15 -51.08 0.54 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.497 1.295 . . . . 61.25 114.497 169.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -54.05 116.53 2.63 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.465 0.306 . . . . 75.44 111.13 -172.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.71 ' HB2' HD12 ' A' ' 54' ' ' LEU . 5.9 p-10 -75.38 125.41 28.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.618 -0.719 . . . . 72.33 110.536 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 tp -92.5 -20.03 21.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.408 -0.815 . . . . 71.52 110.166 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 27' ' ' LEU . 29.4 mt -142.58 152.79 42.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.386 -0.824 . . . . 74.12 109.837 -173.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -131.62 116.61 17.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 72.12 110.588 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.44 19.6 54.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.836 -0.697 . . . . 73.11 113.053 174.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' HG ' ' OE1' ' A' ' 31' ' ' GLN . 8.7 mp -100.76 146.13 27.63 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.594 -0.357 . . . . 51.01 110.5 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -101.83 178.36 4.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.391 -0.368 . . . . 74.14 110.352 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -59.83 -38.61 82.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 70.22 110.631 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.75 -31.07 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.93 -0.577 . . . . 71.23 111.318 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.596 ' OE1' ' HG ' ' A' ' 27' ' ' LEU . 78.8 mt-30 -87.08 -41.42 13.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.171 0.51 . . . . 73.24 110.307 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.32 -19.19 65.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 70.42 111.237 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -54.74 -36.82 65.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 70.42 111.594 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.41 -37.73 36.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.307 0.575 . . . . 71.43 110.162 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.579 HG11 HD11 ' A' ' 24' ' ' LEU . 90.6 t -60.38 -52.06 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.322 -0.854 . . . . 64.45 111.472 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 tt -73.15 -19.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.82 0.343 . . . . 75.03 110.937 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.05 96.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 74.14 111.147 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 35' ' ' VAL . 7.2 p -73.9 -26.68 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 121.056 0.455 . . . . 42.01 110.34 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.531 HD12 HG13 ' A' ' 38' ' ' VAL . 10.8 mp -73.54 -46.44 47.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 63.05 110.419 176.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.6 -36.19 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 73.01 111.217 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -64.68 -35.69 81.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.037 0.446 . . . . 71.42 110.784 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -87.92 -6.65 57.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.342 -0.39 . . . . 60.23 111.071 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t30 61.06 31.71 19.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.543 0.687 . . . . 65.1 110.947 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.1 tt -82.86 145.93 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.145 -0.687 . . . . 44.44 109.145 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.81 110.34 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.025 0.44 . . . . 64.22 110.847 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.32 123.42 43.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.963 -0.562 . . . . 64.52 110.607 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.68 ' HB2' HG23 ' A' ' 59' ' ' THR . 11.0 m120 -105.88 158.15 16.97 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.655 -0.869 . . . . 74.44 108.655 178.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -114.98 137.98 51.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.742 -0.383 . . . . 71.24 111.275 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.704 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.1 pt -137.64 127.55 36.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.22 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -110.56 132.58 54.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.971 -0.559 . . . . 60.12 109.976 170.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 57.7 m -156.33 159.64 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.223 -0.288 . . . . 74.21 110.223 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.12 -44.55 87.06 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.884 -0.674 . . . . 62.4 112.196 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -67.43 -15.72 63.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.08 0.467 . . . . 74.01 111.527 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 22' ' ' ASP . 2.6 tt -113.5 -42.66 3.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.985 -0.552 . . . . 72.23 112.363 -167.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 -115.2 4.39 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.921 -0.871 . . . . 72.12 110.921 -173.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -125.58 115.57 20.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.482 -0.933 . . . . 65.52 108.482 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.684 ' HB2' HD11 ' A' ' 54' ' ' LEU . 70.4 m -151.05 179.71 8.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.153 0.502 . . . . 72.45 111.484 -175.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.434 HG21 HD22 ' A' ' 39' ' ' LEU . 9.2 mm -109.85 149.2 12.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.364 -0.835 . . . . 62.51 110.882 -174.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.704 ' HB ' HD13 ' A' ' 49' ' ' ILE . 15.3 t -134.6 158.62 43.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.626 -1.25 . . . . 53.34 107.626 169.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.5 m -130.21 172.42 15.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 C-N-CA 120.747 -0.381 . . . . 63.24 110.619 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.7 147.64 36.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 71.45 109.829 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 42.4 mt-10 -54.64 -47.98 96.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.409 0.522 . . . . 52.45 112.409 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 23.0 Cg_endo -63.45 -32.29 71.26 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.722 1.614 . . . . 64.55 112.798 175.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.621 ' HB3' HD11 ' A' ' 44' ' ' ILE . 1.8 m-20 -85.89 1.49 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.708 0.29 . . . . 74.22 111.528 -176.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -60.81 -28.78 69.03 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 65.44 110.95 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -58.56 -41.35 85.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.905 -0.589 . . . . 63.14 111.087 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.44 -34.02 58.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 55.24 111.386 -175.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.499 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -55.78 -55.55 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 72.51 111.224 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.65 -29.24 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.098 0.475 . . . . 74.34 110.467 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -67.02 -44.57 79.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 74.41 110.762 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -73.06 -46.84 49.43 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.435 -0.348 . . . . 64.55 111.234 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.528 HD12 HG13 ' A' ' 35' ' ' VAL . 32.8 mm -70.97 -8.68 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.284 0.564 . . . . 73.25 111.557 -172.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 73' ' ' LYS . 36.0 ttmt -62.3 -23.51 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.253 -0.431 . . . . 62.31 110.603 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.9 p -81.28 -15.15 56.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.043 0.449 . . . . 73.5 111.259 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -98.49 107.39 19.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.094 0.473 . . . . 75.33 110.605 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.37 -0.824 . . . . 73.1 109.643 -178.522 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.896 0.379 . . . . 70.23 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -123.84 102.77 7.97 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.84 -0.344 . . . . 61.32 111.328 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' HE3' ' HD1' ' A' ' 65' ' ' PHE . 1.7 mptp? -134.49 126.61 29.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.369 -0.378 . . . . 73.45 110.149 172.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.1 106.18 9.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.445 0.641 . . . . 61.33 110.357 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 HG13 ' A' ' 72' ' ' ILE . 20.9 tp -93.0 -51.09 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.596 -0.729 . . . . 72.35 111.225 -173.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 23' ' ' LEU . 5.7 mp -117.36 173.25 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.102 -0.333 . . . . 74.54 110.102 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -140.27 116.76 10.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.566 0.222 . . . . 51.03 111.083 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.11 -31.97 8.13 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.769 -0.729 . . . . 61.5 113.829 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 31' ' ' GLN . 6.4 mp -65.43 146.08 55.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 74.11 111.103 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -98.74 179.75 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.99 -0.55 . . . . 73.11 109.517 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -47.44 76.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.427 . . . . 75.22 110.758 -175.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.97 -31.2 68.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 54.32 112.255 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.6 mp0 -86.8 -32.12 20.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.022 0.439 . . . . 64.42 110.645 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.85 -19.39 64.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 74.44 110.888 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -51.65 -46.27 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 72.24 111.296 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.58 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.315 0.578 . . . . 71.03 110.509 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 38' ' ' VAL . 45.1 t -83.96 -52.79 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.577 -0.738 . . . . 71.13 110.684 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.0 tt -60.43 -26.0 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.841 0.353 . . . . 30.03 111.184 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.14 77.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 72.43 111.267 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 35' ' ' VAL . 5.2 p -76.79 -27.44 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.353 . . . . 75.02 110.722 -176.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.589 HD21 HD11 ' A' ' 72' ' ' ILE . 3.3 mm? -70.91 -49.0 50.57 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.643 -0.503 . . . . 74.35 109.643 175.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.82 -40.18 79.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 52.33 110.046 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.3 ttt -57.97 -32.91 68.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.274 -0.875 . . . . 62.31 111.552 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -92.86 1.91 57.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.494 -0.321 . . . . 74.02 111.707 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.54 20.91 11.64 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.983 0.42 . . . . 70.22 111.571 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.558 HD11 ' HB3' ' A' ' 64' ' ' ASP . 10.8 tt -87.48 150.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.96 -0.564 . . . . 74.24 109.644 178.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' O ' HG12 ' A' ' 60' ' ' VAL . 4.5 tp10 -54.56 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.366 0.416 . . . . 70.42 110.706 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -110.36 113.13 25.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.293 -0.412 . . . . 75.11 109.954 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.676 ' HB3' HG23 ' A' ' 59' ' ' THR . 3.9 t-20 -118.6 140.79 49.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.987 -0.551 . . . . 71.42 109.862 -178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -98.29 104.92 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 73.25 110.912 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.409 HG23 ' CG2' ' A' ' 59' ' ' THR . 8.8 pt -90.32 123.35 42.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.968 0.414 . . . . 73.52 110.761 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -109.26 135.9 49.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.692 -0.685 . . . . 70.55 110.318 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.593 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 39.3 m -154.75 169.27 24.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.929 -0.578 . . . . 61.23 109.724 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.66 -37.03 10.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 71.54 112.104 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -80.61 -30.71 36.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.202 0.525 . . . . 71.43 110.554 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 7.4 tt -98.62 -35.14 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.63 -0.714 . . . . 74.42 111.427 -173.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.8 -113.48 4.1 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.157 -0.777 . . . . 71.53 111.157 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -131.29 138.17 49.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.904 0.383 . . . . 75.01 110.324 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.1 m -149.02 165.69 30.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.108 -0.496 . . . . 74.43 111.039 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.495 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.5 mm -102.48 108.36 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.562 -0.745 . . . . 70.54 109.73 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 47' ' ' ASN . 12.3 t -101.12 153.3 19.7 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.808 -0.441 . . . . 64.31 109.808 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 68' ' ' ALA . 21.9 m -128.76 173.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.87 149.0 50.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.048 -0.524 . . . . 64.21 110.615 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.549 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 13.2 mp0 -51.31 -45.55 89.66 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 112.784 0.661 . . . . 64.22 112.784 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 18.1 Cg_endo -61.41 -11.78 21.15 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.264 1.976 . . . . 72.33 113.712 177.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.558 ' HB3' HD11 ' A' ' 44' ' ' ILE . 52.2 m-20 -114.54 22.64 13.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 75.41 110.526 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HD1' ' HE3' ' A' ' 21' ' ' LYS . 90.3 t80 -49.81 -59.34 3.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.813 -0.631 . . . . 63.41 112.468 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -71.51 -23.35 61.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.708 0.289 . . . . 43.11 111.473 -174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.73 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.408 -0.36 . . . . 63.13 110.977 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.51 -51.42 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.022 -0.535 . . . . 74.32 111.497 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.11 -34.26 67.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 75.02 110.789 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -74.23 -29.17 61.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.55 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.2 m95 -76.59 -20.73 56.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 74.15 110.894 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 68' ' ' ALA . 21.5 mm -88.47 -5.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.004 0.43 . . . . 74.44 110.313 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -53.75 -27.14 26.91 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.749 0.648 . . . . 62.1 112.749 -173.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 p -70.02 -21.53 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.928 0.344 . . . . 64.14 111.928 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -113.4 -45.23 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 71.11 111.39 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 C--O 1.242 0.664 0 CA-C-O 118.609 -0.71 . . . . 74.42 110.117 -177.22 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HB2' ' OE1' ' A' ' 62' ' ' GLU . 1.4 ttmp? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 121.194 0.521 . . . . 74.12 109.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -124.64 26.33 7.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.6 -0.727 . . . . 54.51 109.919 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -86.14 128.83 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.273 -0.876 . . . . 75.12 109.699 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.01 132.02 35.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.345 0.593 . . . . 34.44 110.226 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 tp -107.89 -40.55 5.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.883 -0.598 . . . . 74.21 110.754 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD11 HG11 ' A' ' 35' ' ' VAL . 41.1 mt -114.89 167.34 10.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.87 -0.605 . . . . 73.11 110.023 -174.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -134.5 115.62 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.558 0.218 . . . . 75.14 110.565 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.33 52.08 9.1 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.129 -0.557 . . . . 72.02 114.179 172.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.572 HD22 HD13 ' A' ' 24' ' ' LEU . 7.5 mp -118.87 150.87 39.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.98 0.39 . . . . 73.52 110.132 172.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -91.68 176.69 6.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.323 -0.398 . . . . 74.25 110.106 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -59.61 -57.97 10.62 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.508 0.323 . . . . 75.14 111.611 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.63 -23.9 66.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 72.12 110.993 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.35 -32.03 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.138 0.494 . . . . 70.0 110.088 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.5 -18.91 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.711 -0.677 . . . . 63.33 111.209 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' HA ' HG22 ' A' ' 36' ' ' ILE . 8.8 t30 -54.99 -41.53 71.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.34 -0.391 . . . . 41.12 111.311 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 38' ' ' VAL . 10.5 tp10 -60.52 -46.09 91.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.974 0.416 . . . . 75.13 110.067 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG11 HD11 ' A' ' 24' ' ' LEU . 60.7 t -68.21 -45.92 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 72.43 111.419 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.557 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 17.8 tt -64.3 -32.29 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.896 -0.322 . . . . 52.12 110.534 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.1 82.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 54.22 110.174 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 34' ' ' GLU . 69.8 t -56.01 -53.14 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.284 -0.416 . . . . 63.12 110.349 175.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 46' ' ' ALA . 4.5 mm? -56.89 -51.08 70.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 73.01 110.976 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.18 -37.47 87.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.31 -0.405 . . . . 53.53 111.272 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -66.36 -24.14 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 54.33 111.135 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -89.12 11.94 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 72.14 110.864 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 65.4 28.03 11.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.906 -0.588 . . . . 74.23 112.504 173.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 64' ' ' ASP . 14.8 tt -112.4 145.11 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.256 -0.646 . . . . 54.34 109.256 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.62 104.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.441 0.638 . . . . 70.45 111.343 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . . . -99.01 114.65 27.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.42 -0.809 . . . . 42.5 110.035 178.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 59' ' ' THR . 25.1 t-20 -107.24 145.1 33.1 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.193 -0.458 . . . . 75.33 109.772 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -89.15 123.83 33.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.58 . . . . 70.33 110.981 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.571 HD13 ' HB ' ' A' ' 59' ' ' THR . 25.4 pt -122.42 118.84 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.128 0.49 . . . . 71.52 110.822 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -109.57 139.41 44.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.99 -0.55 . . . . 74.42 109.992 175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -157.57 151.84 24.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.596 -0.52 . . . . 71.34 109.596 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.71 -43.6 98.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.754 -0.736 . . . . 63.3 112.836 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -73.78 -16.79 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.842 0.353 . . . . 70.32 111.81 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.1 tp -113.63 -39.42 4.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.926 0.393 . . . . 74.44 111.846 -168.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.33 -125.12 7.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.696 -0.962 . . . . 64.12 110.696 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -117.13 121.45 41.3 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.999 0.428 . . . . 71.33 110.106 174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 63.8 m -140.43 170.04 16.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.964 -0.562 . . . . 61.3 110.512 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 16.4 mm -108.03 141.6 22.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.863 -0.608 . . . . 64.21 109.718 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.571 ' HB ' HD13 ' A' ' 49' ' ' ILE . 4.0 t -127.41 152.88 46.95 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.914 -0.402 . . . . 62.24 109.914 176.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 ' HB2' ' A' ' 68' ' ' ALA . 27.7 m -134.09 175.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.859 -0.609 . . . . 60.01 109.952 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 139.5 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.699 0.624 . . . . 72.44 110.427 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE1' ' HB2' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -49.58 -55.88 20.05 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.818 0.673 . . . . 70.4 112.818 -173.176 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -73.58 -5.87 17.79 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.738 1.625 . . . . 62.4 112.949 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' HB3' HD11 ' A' ' 44' ' ' ILE . 4.0 m-20 -103.24 11.43 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.44 . . . . 74.54 110.714 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.96 -36.58 77.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 64.03 110.289 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -62.13 -34.91 77.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.929 -0.578 . . . . 61.13 110.986 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.13 72.95 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.465 -0.334 . . . . 71.11 110.203 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.627 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -56.69 -49.23 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 73.14 110.527 177.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 -36.54 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 73.51 110.593 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -62.66 -38.49 90.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.818 -0.628 . . . . 54.34 110.711 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -71.76 -31.74 66.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.444 -0.344 . . . . 73.23 110.646 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 68' ' ' ALA . 51.9 mm -63.95 -19.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 75.11 110.918 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 17.3 mmtt -65.78 -15.67 63.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.389 0.514 . . . . 70.03 112.389 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.2 p -85.64 1.49 49.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.172 0.51 . . . . 64.41 110.465 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -122.05 -41.79 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.758 -0.656 . . . . 72.41 110.574 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.982 -0.532 . . . . 74.51 110.122 -178.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 121.627 0.727 . . . . 74.3 110.824 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -150.63 29.5 0.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.361 -0.836 . . . . 65.14 110.174 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.917 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 10.2 mmpt? -73.53 116.61 14.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.702 -0.681 . . . . 52.13 110.745 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.37 129.75 40.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.929 -0.578 . . . . 75.1 110.626 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 72' ' ' ILE . 20.1 tp -111.64 -45.17 3.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.475 -0.784 . . . . 72.33 109.841 -177.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 35' ' ' VAL . 62.1 mt -137.15 138.48 40.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.124 -0.943 . . . . 72.42 109.377 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 9.1 mtpm? -114.23 123.05 48.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.138 0.494 . . . . 75.01 111.951 -174.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.24 40.59 10.05 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.626 -0.716 . . . . 50.52 112.405 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD22 HD13 ' A' ' 24' ' ' LEU . 20.4 tp -116.79 129.47 56.12 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.957 -0.386 . . . . 73.34 109.957 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.09 160.62 27.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.367 -0.379 . . . . 64.51 110.103 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -61.7 -33.65 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 74.03 109.821 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.63 -43.74 98.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 50.25 110.613 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -82.84 -22.22 34.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 51.21 110.852 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 27' ' ' LEU . . . -62.49 -18.5 61.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.817 -0.629 . . . . 54.11 111.136 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -46.96 -43.02 18.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.399 -0.818 . . . . 71.45 111.96 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.0 -43.9 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.157 0.504 . . . . 61.31 110.952 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 24' ' ' LEU . 45.7 t -79.07 -42.61 23.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.774 -0.648 . . . . 73.43 111.633 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.36 -31.83 52.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.676 0.274 . . . . 72.01 110.665 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.63 92.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 60.52 110.473 177.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.97 -54.87 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 71.23 110.485 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.808 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -59.75 -47.46 85.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 74.14 111.028 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mmm -66.9 -25.51 66.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.359 . . . . 74.01 111.583 -177.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -82.93 7.95 13.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.614 0.245 . . . . 54.55 111.006 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 m120 63.46 22.19 13.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.864 -0.607 . . . . 65.04 111.968 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 tt -100.49 145.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.048 -0.723 . . . . 74.43 109.048 175.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 60' ' ' VAL . 41.4 tt0 -69.47 124.67 24.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.363 -0.381 . . . . 43.42 111.496 -173.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.48 114.21 28.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.053 -0.521 . . . . 53.51 110.846 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.605 ' HB2' HG23 ' A' ' 59' ' ' THR . 45.1 m-80 -113.98 156.82 23.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.426 -0.352 . . . . 53.24 110.185 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.84 142.92 27.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 42.33 111.987 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.551 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.8 pt -143.29 104.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 63.2 109.498 167.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.574 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 20.7 t70 -108.13 131.21 54.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.922 0.391 . . . . 73.21 110.427 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.7 m -156.34 151.99 27.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.786 -0.643 . . . . 75.1 109.334 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.18 -43.98 95.1 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.756 -0.735 . . . . 72.23 112.933 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -70.6 -17.92 62.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 64.43 111.241 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tt -113.45 -53.21 2.71 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.229 -0.441 . . . . 61.1 111.987 -166.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 95.36 -134.05 11.76 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.504 -1.039 . . . . 41.12 110.504 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 31.3 m-85 -111.94 119.42 38.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.04 0.448 . . . . 72.05 111.056 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.407 ' OG ' HD21 ' A' ' 54' ' ' LEU . 45.5 m -120.45 159.29 25.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.861 -0.609 . . . . 74.05 110.338 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.4 mm -96.24 100.41 10.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.086 -0.709 . . . . 72.35 109.086 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.605 HG23 ' HB2' ' A' ' 47' ' ' ASN . 14.5 t -92.5 133.59 35.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.78 0.8 . . . . 62.34 110.39 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 45' ' ' GLU . 34.1 m -113.97 174.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 114.833 -1.076 . . . . 71.41 108.58 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.06 142.06 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.067 -0.346 . . . . 74.02 110.067 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 55.2 mt-10 -54.75 -48.24 96.03 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 112.936 0.717 . . . . 75.2 112.936 -172.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 40.6 Cg_endo -68.01 -14.45 41.07 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.713 1.609 . . . . 65.32 112.771 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -97.91 -0.68 44.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 44.45 111.227 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 69' ' ' VAL . 47.6 t80 -59.05 -31.14 68.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 53.43 110.931 -177.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -55.9 -43.62 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.949 -0.568 . . . . 70.33 111.466 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.53 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 55.11 110.772 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.593 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -57.26 -46.6 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 72.54 110.959 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 65' ' ' PHE . 68.7 t -58.62 -40.5 79.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.187 -0.461 . . . . 71.34 110.828 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.84 -38.34 83.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.019 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 3.7 m95 -67.75 -33.14 74.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.585 -0.28 . . . . 74.42 110.871 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 68' ' ' ALA . 45.1 mm -65.5 -22.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.326 -0.397 . . . . 73.44 111.362 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -63.15 -22.87 67.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 72.34 111.119 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.6 p -79.44 -12.88 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 73.24 111.012 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -86.64 97.06 10.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.53 -0.545 . . . . 75.05 109.53 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.517 -0.765 . . . . 43.35 109.544 -178.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.754 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 3.7 ttmp? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.28 0.086 . . . . 75.53 111.102 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HA ' HG21 ' A' ' 59' ' ' THR . 12.7 p-10 -60.66 107.41 0.68 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.38 0.609 . . . . 64.4 111.605 -175.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 34.6 mmtm -145.79 149.76 34.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.728 -0.669 . . . . 74.23 110.602 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.516 ' HB3' HD11 ' A' ' 54' ' ' LEU . 7.4 p-10 -77.71 133.28 38.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.721 . . . . 75.2 110.976 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 ' HB ' ' A' ' 58' ' ' ILE . 34.2 tp -112.43 -28.72 7.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.602 -0.726 . . . . 71.13 110.08 174.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 27' ' ' LEU . 67.0 mt -133.87 175.67 9.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 72.02 109.606 -176.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -140.13 125.41 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.371 0.137 . . . . 71.33 111.371 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.83 46.27 94.5 Favored Glycine 0 C--N 1.333 0.372 0 O-C-N 123.596 0.56 . . . . 53.03 113.307 173.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 24' ' ' LEU . 12.8 tp -112.73 144.89 41.48 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.093 -0.336 . . . . 65.05 110.093 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.23 161.51 14.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.779 0.324 . . . . 73.21 110.383 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -54.95 -35.41 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.779 -0.646 . . . . 72.14 111.533 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.61 -35.58 79.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.418 . . . . 64.41 111.081 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.504 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 47.3 mt-30 -81.13 -27.81 35.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 75.33 110.483 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.2 -22.85 67.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.739 -0.664 . . . . 75.41 111.098 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.59 -40.91 69.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.064 -0.516 . . . . 61.15 110.953 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.45 -30.73 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.63 -0.714 . . . . 64.32 110.839 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 24' ' ' LEU . 34.1 t -89.42 -45.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 70.54 111.357 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.5 tt -61.72 -31.52 51.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.851 0.358 . . . . 73.41 111.238 -175.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.95 73.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.095 -0.502 . . . . 65.14 110.87 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.0 -46.26 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.607 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.9 mm? -64.89 -52.97 53.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.057 -0.519 . . . . 75.53 110.965 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.51 -28.5 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 73.21 111.214 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.4 ttm -70.02 -35.91 74.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.407 . . . . 70.45 110.771 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -87.94 15.98 6.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.091 -175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.4 m120 65.87 26.21 11.13 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.553 0.575 . . . . 73.1 112.553 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 tt -113.44 128.26 70.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.987 -0.375 . . . . 70.1 109.987 176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.31 121.82 11.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.932 -0.577 . . . . 53.03 110.777 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.61 113.99 23.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.691 -0.686 . . . . 63.34 110.603 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -105.99 155.29 19.52 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.43 -0.582 . . . . 71.31 109.43 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -105.1 133.35 50.02 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 121.042 -0.263 . . . . 62.33 110.515 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 57' ' ' SER . 1.1 pt -93.43 103.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.956 0.408 . . . . 55.4 110.594 174.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.02 102.0 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 50.32 109.732 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.8 m -152.57 117.11 5.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.71 -0.677 . . . . 65.34 109.431 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.96 -30.54 76.18 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 121.223 -0.513 . . . . 53.41 113.08 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.78 -36.02 50.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.156 0.503 . . . . 74.35 110.838 -178.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 22' ' ' ASP . 5.3 tt -86.53 -40.48 15.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.307 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.83 168.88 29.73 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.557 -1.017 . . . . 72.4 110.557 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -76.16 117.74 18.17 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 72.13 110.364 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.623 ' HB2' HD11 ' A' ' 49' ' ' ILE . 75.6 m -133.44 169.7 16.57 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.156 -0.929 . . . . 65.33 110.104 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.561 HG21 ' HG ' ' A' ' 39' ' ' LEU . 34.8 mm -100.47 120.61 50.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.91 -0.586 . . . . 74.12 110.584 -177.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.547 HG21 ' HA ' ' A' ' 20' ' ' ASP . 31.9 m -113.85 133.43 55.42 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.802 -0.635 . . . . 74.23 109.92 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 31.5 m -123.54 173.46 9.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.105 -0.498 . . . . 65.11 111.274 -174.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.754 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . . . -58.56 149.94 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 72.52 110.986 177.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.581 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 55.7 mp0 -49.87 -54.52 31.48 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.906 0.706 . . . . 55.51 112.906 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 18.4 Cg_exo -67.67 -14.51 42.16 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.868 1.712 . . . . 72.32 113.053 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -107.36 3.71 25.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.568 0.21 . . . . 72.4 111.568 -176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.543 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 61.8 t80 -59.86 -49.85 76.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 72.31 111.312 -176.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 t -62.31 -29.42 70.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.52 -0.309 . . . . 74.21 111.108 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.86 70.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.535 -0.302 . . . . 64.03 110.341 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -59.1 -39.35 81.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 71.1 111.012 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 65' ' ' PHE . 62.0 t -61.12 -35.14 63.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.968 -0.56 . . . . 73.2 110.718 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -73.29 -34.03 65.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 71.21 110.788 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -68.65 -25.92 65.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.939 0.4 . . . . 60.51 110.84 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.2 mm -68.11 -23.77 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.035 -0.53 . . . . 74.03 110.727 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 65.7 mmtt -62.49 -33.34 74.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 73.52 111.627 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.4 m -76.48 -26.7 55.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 71.14 111.359 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -73.23 125.05 26.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.117 0.484 . . . . 73.41 110.55 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.484 -0.769 . . . . 63.5 109.863 -179.538 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 pttm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.391 -0.225 . . . . 74.42 110.391 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 38.85 69.2 0.29 Allowed 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.027 0.83 . . . . 65.25 113.078 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -124.31 126.08 45.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.878 -0.416 . . . . 63.1 109.878 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' HB3' ' HE3' ' A' ' 25' ' ' LYS . 4.4 m-20 -70.3 105.59 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 64.22 109.834 -177.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 58' ' ' ILE . 18.0 tp -96.13 -61.37 1.45 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.159 0.504 . . . . 64.34 110.134 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 35' ' ' VAL . 67.4 mt -115.71 137.02 52.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.836 -0.62 . . . . 73.32 109.627 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 22' ' ' ASP . 11.2 mptt -113.63 115.57 28.11 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.561 -0.455 . . . . 75.22 110.39 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.96 -19.51 33.79 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.018 -0.61 . . . . 74.35 113.288 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.452 HD22 HD22 ' A' ' 24' ' ' LEU . 7.9 mp -67.88 138.98 56.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.884 0.373 . . . . 75.1 111.002 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HA ' ' HD1' ' A' ' 56' ' ' TYR . 17.4 t70 -85.19 166.6 16.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.847 -0.615 . . . . 71.33 109.619 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.709 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 10.5 pt20 -70.72 -17.13 62.82 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.001 -0.279 . . . . 60.01 111.231 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -57.85 -41.44 82.37 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.356 0.598 . . . . 75.23 109.604 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.01 -36.96 24.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.382 -0.826 . . . . 65.33 110.004 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 29' ' ' GLN . . . -64.43 -19.99 65.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.714 -0.676 . . . . 74.32 111.376 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.51 -43.7 79.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 63.43 110.283 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.78 -32.33 70.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.421 0.629 . . . . 61.54 110.188 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.642 HG21 HD11 ' A' ' 24' ' ' LEU . 80.9 t -71.12 -51.32 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.204 -0.907 . . . . 74.13 111.377 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 tt -70.96 -23.93 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.828 0.347 . . . . 75.12 110.684 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.33 96.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.206 -0.452 . . . . 44.21 111.171 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 35' ' ' VAL . 9.6 p -68.08 -31.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.414 . . . . 64.43 110.177 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 44' ' ' ILE . 9.2 mp -64.58 -49.23 71.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.406 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -59.32 -40.12 85.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 74.11 110.809 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 65.1 mtt -75.76 -4.28 39.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 73.22 111.815 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -113.08 9.83 18.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.786 0.327 . . . . 63.54 110.869 175.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 t30 63.34 25.46 14.66 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.474 -0.785 . . . . 62.22 111.807 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 39' ' ' LEU . 11.6 tt -96.16 150.59 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.047 -0.408 . . . . 71.15 110.055 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.34 137.12 56.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.417 -0.356 . . . . 74.33 110.455 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.93 121.19 20.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.828 0.347 . . . . 64.21 110.654 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.577 ' HB2' HG23 ' A' ' 59' ' ' THR . 12.7 m120 -109.84 151.61 26.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.372 -0.377 . . . . 53.4 110.32 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -103.84 119.2 38.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.419 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.441 HD13 ' HB ' ' A' ' 59' ' ' THR . 28.4 pt -125.63 118.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 72.3 111.267 175.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.16 139.64 43.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.695 -0.684 . . . . 75.35 109.328 173.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 47.1 m -153.75 142.03 20.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.907 -0.405 . . . . 64.32 109.907 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.61 92.77 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.275 -0.488 . . . . 54.43 113.433 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -12.7 54.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.957 0.378 . . . . 73.45 111.915 -176.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 65.3 tp -110.88 -38.8 5.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.941 0.401 . . . . 70.54 111.643 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.36 -126.52 8.95 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.75 -0.94 . . . . 74.33 110.75 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 28' ' ' ASP . 96.7 m-85 -123.84 119.09 28.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.844 0.354 . . . . 72.41 110.436 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -124.17 158.5 32.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.186 0.517 . . . . 70.42 111.008 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' HD22 ' A' ' 23' ' ' LEU . 13.8 mm -111.44 100.95 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.603 -0.888 . . . . 60.35 108.603 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 47' ' ' ASN . 10.6 t -90.46 151.91 21.19 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.187 0.518 . . . . 54.22 110.863 -174.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.7 m -127.47 174.32 11.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.51 -0.768 . . . . 72.1 109.453 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.71 154.6 40.24 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.666 -0.494 . . . . 74.11 109.666 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 4.9 mp0 -53.24 -47.66 95.16 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.755 0.65 . . . . 60.51 112.755 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 31.2 Cg_exo -62.14 -20.68 70.69 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.066 1.844 . . . . 41.24 113.072 177.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -98.87 1.27 45.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.511 -0.313 . . . . 74.21 111.07 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -58.39 -44.52 89.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 75.32 111.331 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -66.86 -24.67 66.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.119 -0.491 . . . . 74.03 111.184 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.89 -42.86 26.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.381 -0.372 . . . . 75.21 110.653 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.626 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.88 -52.3 60.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.734 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.61 -37.71 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 72.01 110.832 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -61.7 -40.14 93.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 63.32 110.909 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.32 -38.75 81.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.006 0.432 . . . . 71.11 110.577 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 68' ' ' ALA . 29.1 mm -66.64 -29.64 47.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.55 . . . . 73.32 110.695 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -62.38 -36.86 83.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 71.1 110.76 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.59 44.43 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.012 0.375 . . . . 74.25 112.012 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -84.26 -28.52 27.13 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.077 0.465 . . . . 74.54 109.913 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.42 -0.8 . . . . 64.4 110.468 -175.791 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.638 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 59.2 mttp . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.756 0.312 . . . . 74.24 111.035 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.47 98.5 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.773 0.797 . . . . 73.34 112.221 -171.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 21' ' ' LYS . 9.9 mmpt? -113.52 142.81 45.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.831 -1.077 . . . . 72.12 108.344 170.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HB2' HD11 ' A' ' 54' ' ' LEU . 15.8 p-10 -79.3 105.81 10.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.641 0.734 . . . . 71.01 111.398 -176.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 68' ' ' ALA . 46.2 tp -76.18 -41.06 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.137 -0.938 . . . . 75.01 110.463 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD13 HD22 ' A' ' 27' ' ' LEU . 35.6 mt -126.72 155.14 43.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.163 -0.926 . . . . 73.54 108.893 -177.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.26 116.74 14.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.785 -0.366 . . . . 64.51 110.8 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.34 39.57 5.97 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.772 -0.728 . . . . 71.32 113.3 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.585 HD22 HD13 ' A' ' 24' ' ' LEU . 8.6 mp -115.47 157.26 24.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 73.53 111.046 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -101.75 -178.99 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.54 -0.754 . . . . 64.41 109.744 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.67 -32.66 72.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 65.52 110.59 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.92 -57.37 12.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.43 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -66.93 -22.84 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.404 . . . . 55.11 110.895 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.2 -20.1 65.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 60.1 111.391 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.32 -44.43 87.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.92 0.39 . . . . 52.23 110.234 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.322 0.582 . . . . 75.12 110.56 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 38' ' ' VAL . 87.5 t -69.02 -53.71 24.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.297 -0.865 . . . . 64.05 111.685 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 tt -59.94 -23.82 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.771 0.319 . . . . 74.44 111.205 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.22 97.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.264 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.2 p -72.57 -29.86 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.687 -0.405 . . . . 72.13 110.508 -177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.36 -46.2 61.03 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.733 -0.469 . . . . 73.35 109.733 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.18 -45.4 91.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 54.2 111.211 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -59.14 -37.08 76.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.311 -0.404 . . . . 62.11 111.969 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.23 3.68 54.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.571 -0.452 . . . . 62.02 111.206 -177.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.6 m120 64.02 24.2 13.49 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.749 -0.659 . . . . 65.35 112.315 172.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 64' ' ' ASP . 9.0 tt -86.74 147.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.775 -0.454 . . . . 63.12 109.775 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.1 124.19 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.584 -0.28 . . . . 64.44 110.631 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.07 126.06 44.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 73.4 110.916 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -117.67 165.64 13.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.929 -0.578 . . . . 75.53 109.984 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -99.08 139.52 34.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.201 -0.454 . . . . 71.03 111.1 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.561 HD13 ' HB ' ' A' ' 59' ' ' THR . 4.9 pt -128.8 102.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.282 0.563 . . . . 75.14 110.73 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -101.83 124.81 48.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.356 -0.838 . . . . 71.15 109.884 175.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -151.65 163.86 38.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.174 -0.466 . . . . 74.42 109.926 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.72 85.65 Favored Glycine 0 N--CA 1.454 -0.118 0 C-N-CA 120.799 -0.715 . . . . 71.34 112.476 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' ' 54' ' ' LEU . 15.7 ptmt -67.94 -22.26 65.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.818 0.342 . . . . 73.53 111.774 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.591 HD13 ' HE2' ' A' ' 53' ' ' LYS . 7.4 tp -113.91 -44.16 3.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.813 0.671 . . . . 62.21 112.813 -164.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . 92.72 -127.25 8.9 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.412 -1.075 . . . . 63.44 110.412 -170.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.43 118.96 35.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.878 0.371 . . . . 63.24 110.063 174.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -141.7 178.16 7.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.393 -0.367 . . . . 75.24 111.15 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.2 mm -108.04 144.95 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.073 -0.512 . . . . 25.13 110.331 -178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 49' ' ' ILE . 1.9 t -135.49 158.03 45.41 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.989 -1.115 . . . . 71.51 107.989 170.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 35.9 m -134.64 174.2 13.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 121.122 -0.231 . . . . 72.22 110.87 -172.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.49 142.08 14.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 72.24 110.746 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.638 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 38.2 mt-10 -53.04 -50.67 80.76 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.634 0.605 . . . . 44.03 112.634 -174.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 20.1 Cg_exo -66.96 -24.25 45.97 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 121.746 1.63 . . . . 74.21 112.412 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.562 ' HB3' HD11 ' A' ' 44' ' ' ILE . 42.9 m-20 -96.56 3.82 52.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.092 -0.504 . . . . 74.21 111.771 -175.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HA ' ' CG2' ' A' ' 60' ' ' VAL . 63.6 t80 -63.86 -34.73 78.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 62.12 111.054 -176.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -62.68 -26.9 68.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.913 0.387 . . . . 54.15 110.766 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.47 -37.91 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.392 -0.367 . . . . 61.14 110.614 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.63 -46.59 73.94 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.026 0.441 . . . . 75.02 110.631 176.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.38 -38.2 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.78 -0.646 . . . . 70.41 110.65 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.35 -47.42 85.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 73.22 110.13 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -67.3 -38.33 84.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 72.22 110.86 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 68' ' ' ALA . 48.2 mm -72.27 -29.76 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.873 0.368 . . . . 75.24 110.642 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -66.66 -24.43 66.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.131 0.491 . . . . 64.23 110.099 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.6 m -78.33 -22.9 47.39 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.573 -0.74 . . . . 63.42 110.248 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -75.08 122.05 22.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 72.24 109.804 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.399 -0.81 . . . . 74.42 110.558 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.753 ' HG2' ' H ' ' A' ' 20' ' ' ASP . 33.0 ttmt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.527 -0.546 . . . . 74.11 109.527 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.753 ' H ' ' HG2' ' A' ' 19' ' ' LYS . 26.2 t70 64.37 83.37 0.17 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.406 0.622 . . . . 73.45 111.388 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -125.65 116.36 21.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.782 -0.645 . . . . 72.45 109.587 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.87 105.61 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 75.12 110.252 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 tp -102.64 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.228 0.537 . . . . 75.41 110.565 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD11 HG11 ' A' ' 35' ' ' VAL . 32.5 mt -112.54 163.6 14.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.828 -0.624 . . . . 54.12 109.962 -174.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -133.39 124.62 27.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.536 0.208 . . . . 73.51 110.612 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.69 60.0 9.52 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 116.037 -0.529 . . . . 64.12 113.393 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 HD13 ' A' ' 24' ' ' LEU . 16.8 tp -124.0 149.63 45.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.883 0.341 . . . . 71.4 110.621 -178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.89 174.09 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.484 -0.326 . . . . 72.22 110.732 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -74.72 -41.84 59.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.37 -0.377 . . . . 61.55 110.935 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.83 -29.31 70.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.82 0.343 . . . . 65.11 110.854 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.05 -36.53 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.843 0.354 . . . . 70.33 110.334 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.14 -28.7 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.482 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' HA ' HG22 ' A' ' 36' ' ' ILE . 7.8 t30 -58.43 -41.77 85.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.78 -0.645 . . . . 64.43 110.719 176.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.1 -33.92 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.257 0.551 . . . . 71.43 110.399 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.811 HG11 HD11 ' A' ' 24' ' ' LEU . 73.1 t -76.22 -50.11 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 71.22 111.023 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.552 ' HB ' ' CD1' ' A' ' 58' ' ' ILE . 15.2 tt -62.46 -23.51 32.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.799 0.333 . . . . 71.24 110.356 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.89 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 74.32 111.357 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 35' ' ' VAL . 10.0 p -72.27 -31.82 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.846 -0.341 . . . . 73.3 110.429 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.535 HD12 HG21 ' A' ' 44' ' ' ILE . 3.4 mm? -71.43 -53.84 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 71.12 110.366 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -63.32 -29.65 70.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.727 -0.67 . . . . 60.2 110.667 -176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.9 tpp -59.3 -39.3 82.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 54.1 110.956 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -91.9 8.75 35.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.943 0.401 . . . . 71.1 110.795 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.31 32.49 21.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.359 -0.837 . . . . 64.0 111.675 174.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.535 HG21 HD12 ' A' ' 39' ' ' LEU . 11.8 tt -84.79 149.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.024 -0.732 . . . . 62.33 109.024 174.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -67.24 97.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.148 0.499 . . . . 74.21 111.022 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' C ' HD22 ' A' ' 47' ' ' ASN . . . -100.03 124.53 45.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.354 -0.839 . . . . 45.33 110.502 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.556 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.9 OUTLIER -114.26 154.39 28.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.239 -0.652 . . . . 72.44 109.239 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -97.79 136.39 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.701 -0.227 . . . . 74.41 110.68 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.521 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.6 pt -129.35 130.33 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.407 . . . . 63.33 111.257 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -109.66 128.42 55.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 73.45 109.907 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.657 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 29.1 m -153.1 165.84 34.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.908 -0.404 . . . . 75.51 109.908 175.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.36 -49.13 12.51 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.768 -0.729 . . . . 71.22 113.387 -175.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -76.94 -16.68 59.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.442 0.639 . . . . 73.12 110.441 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 4.2 tt -103.46 -32.67 9.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.25 -0.886 . . . . 75.21 111.17 -173.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.38 -117.57 5.58 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.157 -0.777 . . . . 72.13 111.157 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -115.71 118.94 34.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.399 -0.593 . . . . 73.21 109.399 174.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.596 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.4 m -146.4 178.42 8.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.014 0.435 . . . . 52.04 110.841 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.552 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 10.4 mm -110.91 138.37 39.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.726 -0.67 . . . . 64.35 110.852 -173.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.556 HG23 ' HB2' ' A' ' 47' ' ' ASN . 11.4 t -121.67 143.29 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.368 -0.975 . . . . 72.43 108.368 169.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -113.75 174.77 2.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 120.946 -0.301 . . . . 63.14 110.55 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.58 146.33 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 124.024 0.827 . . . . 52.25 111.43 177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.6 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.6 tp10 -48.75 -54.77 24.24 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.577 -0.738 . . . . 74.13 112.884 -171.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 19.3 Cg_endo -91.37 0.6 4.66 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.178 1.919 . . . . 74.55 112.882 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.46 14.46 31.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.025 0.44 . . . . 74.23 111.18 -173.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -60.67 -27.37 67.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.109 0.48 . . . . 72.33 110.579 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.6 t -60.48 -31.95 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.625 -0.716 . . . . 50.32 111.346 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.3 51.57 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.276 -0.268 . . . . 73.05 110.276 178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.61 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -53.17 -52.17 59.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.565 . . . . 52.12 110.672 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.03 -38.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.012 -0.54 . . . . 73.23 110.77 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -68.06 -40.18 82.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 72.2 110.768 -177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 71' ' ' TRP . 4.5 m95 -72.06 -36.33 69.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.334 . . . . 72.13 110.631 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' ' 68' ' ' ALA . 47.9 mm -66.97 -35.39 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 65.44 110.167 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.26 -23.05 67.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.236 0.541 . . . . 63.14 110.149 175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.0 m -90.22 -18.71 25.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.861 -0.609 . . . . 70.41 110.461 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -78.27 -38.15 43.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 71.05 110.535 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 72' ' ' ILE . 9.4 pt20 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.129 -0.939 . . . . 64.34 111.168 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 112.191 0.441 . . . . 74.23 112.191 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HA ' ' OG1' ' A' ' 59' ' ' THR . 7.9 m-20 -119.18 97.31 5.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.296 0.569 . . . . 74.43 111.328 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.746 ' HG2' ' HG2' ' A' ' 62' ' ' GLU . 26.4 mmmt -130.14 143.95 51.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.388 -0.824 . . . . 74.12 110.014 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -81.57 105.5 12.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.485 0.659 . . . . 63.31 110.374 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD22 ' HB1' ' A' ' 68' ' ' ALA . 61.7 tp -89.37 -29.62 18.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.499 -0.773 . . . . 73.43 110.138 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.755 HD11 HG11 ' A' ' 35' ' ' VAL . 54.5 mt -126.1 148.84 49.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.543 -0.753 . . . . 52.41 109.744 -178.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 7.7 mmpt? -113.76 116.77 29.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.553 -0.294 . . . . 74.11 110.537 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.31 62.56 6.16 Favored Glycine 0 N--CA 1.451 -0.347 0 O-C-N 123.707 0.629 . . . . 73.13 113.4 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' CD2' HD13 ' A' ' 24' ' ' LEU . 16.8 tp -121.56 153.73 37.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.887 -0.412 . . . . 43.12 109.887 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' OD1' ' HG2' ' A' ' 30' ' ' GLU . 14.0 t70 -101.33 160.45 14.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 62.53 109.745 177.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.37 -28.86 69.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.593 -0.276 . . . . 74.52 110.988 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.806 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 8.2 pt-20 -57.92 -42.62 85.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.26 0.552 . . . . 62.33 111.046 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.806 ' HG3' ' HG3' ' A' ' 30' ' ' GLU . 68.2 mt-30 -87.17 -20.97 26.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.696 -0.683 . . . . 62.41 110.922 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.33 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 74.43 111.286 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -53.59 -38.87 64.37 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.904 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -74.6 -33.59 62.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.203 0.525 . . . . 71.4 110.659 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.755 HG11 HD11 ' A' ' 24' ' ' LEU . 94.8 t -75.81 -50.4 23.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.793 -0.64 . . . . 54.32 111.023 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HB ' HD11 ' A' ' 58' ' ' ILE . 15.2 tt -59.8 -25.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.827 0.346 . . . . 64.42 111.27 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.37 86.4 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.023 -0.535 . . . . 52.42 111.461 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 35' ' ' VAL . 6.2 p -74.17 -28.31 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.8 0.333 . . . . 53.01 110.628 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HG21 ' A' ' 58' ' ' ILE . 3.1 mm? -75.78 -55.03 6.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.715 0.293 . . . . 72.22 110.354 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.77 -39.04 87.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.173 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -60.06 -41.1 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.969 0.414 . . . . 64.31 110.522 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -82.2 0.79 39.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 72.42 111.74 -176.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 66.1 24.52 10.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 54.42 112.088 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 tt -91.01 133.12 33.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.942 -0.762 . . . . 72.34 108.942 173.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.92 112.03 2.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 61.41 111.158 -175.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -112.34 132.54 54.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.987 -0.551 . . . . 70.45 110.621 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -127.38 174.35 9.06 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.348 -0.612 . . . . 74.43 109.348 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 130.9 52.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.483 0.183 . . . . 74.42 110.549 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.09 89.81 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.43 -0.582 . . . . 71.13 109.43 168.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -78.16 108.92 11.82 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.654 -0.703 . . . . 74.14 110.553 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -154.88 128.88 8.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.687 -0.688 . . . . 53.21 109.469 177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.1 83.76 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.572 -0.823 . . . . 64.11 112.771 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.951 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -79.26 -9.76 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 73.41 110.797 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -109.24 -44.01 4.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.297 0.57 . . . . 71.1 110.087 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.09 -128.84 9.59 Favored Glycine 0 N--CA 1.443 -0.888 0 N-CA-C 110.395 -1.082 . . . . 73.03 110.395 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -134.76 118.86 17.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.215 0.531 . . . . 73.35 110.013 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 50.3 m -142.52 171.78 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.628 -0.715 . . . . 61.42 110.316 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.527 HG21 ' HG ' ' A' ' 39' ' ' LEU . 35.7 mm -91.02 129.36 41.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.026 -0.534 . . . . 65.21 110.885 -175.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 20' ' ' ASP . 10.4 t -126.46 131.33 51.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.462 -0.57 . . . . 63.35 109.462 171.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.6 173.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.053 -0.521 . . . . 63.01 109.831 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.75 130.71 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.304 -0.628 . . . . 64.21 109.304 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.746 ' HG2' ' HG2' ' A' ' 21' ' ' LYS . 40.1 mt-10 -58.97 -39.19 72.27 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.343 0.868 . . . . 71.21 113.343 -171.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 62' ' ' GLU . 11.2 Cg_endo -57.51 -35.85 98.78 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 121.588 1.525 . . . . 72.11 112.304 171.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.86 0.81 52.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.32 111.536 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.94 -29.91 70.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.82 0.343 . . . . 75.23 110.817 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.4 t -63.54 -27.55 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.132 -0.486 . . . . 73.21 110.878 178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.17 -43.24 29.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.8 -0.444 . . . . 62.23 109.8 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.23 -47.96 71.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.841 -0.618 . . . . 75.44 110.814 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.98 -40.28 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 60.51 111.074 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -68.77 -37.86 79.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 64.45 111.076 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.414 ' HE3' ' HA ' ' A' ' 71' ' ' TRP . 4.4 m95 -67.28 -44.31 79.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.766 0.317 . . . . 74.04 110.452 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 68' ' ' ALA . 39.5 mm -70.89 -23.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 64.44 110.548 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -66.95 -18.59 65.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.245 0.545 . . . . 70.13 110.317 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 m -93.04 -8.29 43.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.43 0.633 . . . . 73.21 110.202 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -93.86 105.13 17.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 73.23 110.274 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.821 -0.609 . . . . 71.43 110.493 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 34.2 mtmm . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.695 -0.483 . . . . 61.33 109.695 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 p30 46.01 45.02 12.04 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.108 0.963 . . . . 64.33 113.099 175.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 44.6 mmtm -121.26 135.42 55.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.143 -0.348 . . . . 72.13 111.04 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.11 105.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.49 -0.777 . . . . 71.0 111.093 -176.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 tp -83.52 -40.18 19.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.25 0.548 . . . . 61.23 110.227 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 35' ' ' VAL . 66.9 mt -124.75 145.71 49.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.68 . . . . 74.21 110.201 -176.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -118.85 116.2 26.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.714 0.292 . . . . 73.05 110.788 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.12 -20.72 46.12 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.722 -0.751 . . . . 71.21 113.325 174.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.571 HD22 HD13 ' A' ' 24' ' ' LEU . 7.4 mp -68.0 141.92 56.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.044 0.422 . . . . 75.41 110.651 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.68 178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.986 -0.552 . . . . 70.42 110.116 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -60.3 -44.3 95.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 74.2 110.474 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -63.44 -29.16 70.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.326 -0.852 . . . . 64.43 111.675 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -86.7 -27.95 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.14 0.495 . . . . 74.14 110.663 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.84 -19.42 65.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 61.23 111.607 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -51.59 -43.49 62.49 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.084 -0.507 . . . . 73.54 111.527 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -70.69 -35.7 72.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.226 0.536 . . . . 72.23 110.52 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 24' ' ' LEU . 91.6 t -70.53 -45.95 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.586 -0.734 . . . . 73.23 111.209 -177.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 tt -70.57 -26.12 27.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.73 -0.388 . . . . 75.21 110.594 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 41' ' ' MET . . . -66.82 -53.13 35.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.475 -0.33 . . . . 73.31 110.972 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.09 -28.7 45.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.094 0.473 . . . . 61.1 110.294 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.597 ' HG ' ' CG2' ' A' ' 44' ' ' ILE . 9.2 tp -69.47 -49.22 56.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 74.4 109.914 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -60.55 -29.13 68.96 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.857 -0.61 . . . . 73.14 110.977 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 37' ' ' ALA . 91.2 mtp -62.18 -18.51 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 70.41 111.368 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -104.51 5.9 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.625 -0.261 . . . . 72.04 110.913 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.74 24.71 13.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.103 0.561 . . . . 62.13 111.731 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.692 HD11 ' HB3' ' A' ' 64' ' ' ASP . 11.1 tt -88.3 150.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.63 -0.507 . . . . 73.54 109.63 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 60' ' ' VAL . 9.5 tp10 -55.5 143.88 27.88 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 73.31 110.99 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.01 121.65 18.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.261 -0.427 . . . . 72.32 110.914 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.464 ' HB3' HG23 ' A' ' 59' ' ' THR . 17.9 t-20 -132.33 134.66 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.14 -0.482 . . . . 74.14 109.909 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 1.8 mppt? -92.02 122.76 34.83 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.761 -0.375 . . . . 73.15 110.695 -177.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.494 HD13 ' HB ' ' A' ' 59' ' ' THR . 8.3 pt -112.56 111.53 36.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.924 0.392 . . . . 44.31 110.165 173.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -107.78 140.53 40.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.086 -0.507 . . . . 75.31 109.96 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 75.6 m -160.53 146.58 15.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.839 -0.619 . . . . 74.02 109.879 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.11 -24.89 65.65 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 121.09 -0.576 . . . . 53.32 112.556 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -10.44 40.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.982 0.42 . . . . 61.44 111.16 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.517 HD21 ' OG ' ' A' ' 57' ' ' SER . 7.6 tt -114.88 -49.91 2.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.84 -0.618 . . . . 71.34 111.336 -170.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.44 -125.04 8.38 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.901 -1.28 . . . . 71.33 109.901 -167.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -130.39 119.17 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.026 0.441 . . . . 52.44 110.603 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.517 ' OG ' HD21 ' A' ' 54' ' ' LEU . 35.5 m -123.31 163.49 20.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.099 0.476 . . . . 65.52 110.913 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.2 mm -109.07 100.86 11.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.458 -0.792 . . . . 62.21 109.061 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.494 ' HB ' HD13 ' A' ' 49' ' ' ILE . 10.2 t -87.65 143.0 27.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.14 0.495 . . . . 42.14 109.8 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 45' ' ' GLU . 35.9 m -121.51 174.09 6.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 115.822 -0.626 . . . . 73.43 109.98 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 64' ' ' ASP . . . -68.3 170.31 8.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 61.35 110.962 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' HD3' ' A' ' 63' ' ' PRO . 18.9 mp0 -54.92 -55.63 36.64 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.027 -0.533 . . . . 73.32 112.261 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 62' ' ' GLU . 53.7 Cg_endo -70.69 -17.2 33.53 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 121.815 1.677 . . . . 74.33 112.733 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.692 ' HB3' HD11 ' A' ' 44' ' ' ILE . 9.1 m-20 -90.01 -11.33 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.488 -0.324 . . . . 73.23 111.23 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -57.94 -46.16 85.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.426 -0.352 . . . . 73.11 111.473 -174.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -66.19 -29.39 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.878 0.371 . . . . 44.41 111.236 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.76 57.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 52.23 110.444 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -52.38 -46.9 66.42 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.096 -0.502 . . . . 74.12 111.157 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.61 -39.83 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 73.51 111.154 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.65 -42.69 91.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.476 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.93 -47.12 78.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 64.25 110.527 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.668 HD12 HG13 ' A' ' 35' ' ' VAL . 30.1 mm -69.5 -28.68 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.05 110.936 -176.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -59.89 -28.41 67.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.612 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.4 m -71.61 -22.97 61.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.881 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -85.19 -41.68 15.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 72.22 110.993 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.426 -0.797 . . . . 73.24 110.635 -174.634 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 110.18 -0.304 . . . . 71.22 110.18 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -82.46 125.04 30.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.274 0.559 . . . . 75.45 110.754 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -152.75 114.76 4.38 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.819 -1.178 . . . . 72.23 107.819 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.18 104.34 12.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.965 0.888 . . . . 61.13 110.955 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.43 -53.68 7.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.427 -1.261 . . . . 62.55 110.754 -177.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 35' ' ' VAL . 78.1 mt -93.18 -177.59 4.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.635 -0.711 . . . . 73.44 109.765 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -168.54 117.12 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.431 0.457 . . . . 63.21 110.324 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.06 9.6 56.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.573 -0.823 . . . . 72.33 113.31 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 24' ' ' LEU . 6.9 mp -106.28 148.83 27.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.692 0.246 . . . . 74.12 110.46 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.81 176.5 5.59 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.329 -0.619 . . . . 75.3 109.329 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -65.65 -35.12 79.88 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 122.46 0.304 . . . . 71.45 111.549 -172.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -57.04 -43.23 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.53 111.667 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -86.58 -25.12 25.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.963 0.411 . . . . 74.43 110.588 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -20.08 65.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 60.43 110.601 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.97 -41.35 87.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.014 -0.539 . . . . 73.45 110.334 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -60.54 -38.8 85.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.262 0.553 . . . . 72.15 110.701 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 38' ' ' VAL . 80.8 t -72.37 -51.05 31.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.064 -0.971 . . . . 72.04 111.336 -177.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 tt -70.62 -20.75 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.674 -0.41 . . . . 75.14 111.095 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.67 -47.26 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.44 -0.346 . . . . 74.54 110.845 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 35' ' ' VAL . 8.7 p -70.4 -30.23 42.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 64.31 110.476 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 58' ' ' ILE . 10.3 mp -70.23 -50.47 39.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 74.13 110.781 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.43 -36.1 83.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.054 -0.521 . . . . 75.25 110.807 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.1 ttm -59.88 -40.02 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 62.51 111.157 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -84.63 -2.22 57.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 74.43 111.12 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.6 t30 61.76 55.09 2.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.424 0.631 . . . . 72.01 110.997 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 39' ' ' LEU . 15.8 tt -103.73 149.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.917 -0.583 . . . . 72.22 109.608 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.04 101.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.77 141.91 47.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.815 -0.629 . . . . 55.14 110.8 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.556 ' HB3' HG23 ' A' ' 59' ' ' THR . 13.0 t-20 -126.56 154.91 43.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.613 . . . . 64.05 109.583 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -97.47 123.08 41.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.691 0.281 . . . . 60.41 111.205 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.63 HD13 ' HB ' ' A' ' 59' ' ' THR . 9.0 pt -116.46 114.06 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 72.03 111.479 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -109.8 133.47 53.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 73.22 109.83 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.8 m -158.15 153.46 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.323 -0.251 . . . . 65.53 110.323 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.94 98.64 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.129 -0.558 . . . . 61.34 112.9 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -65.47 -25.1 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 73.24 110.716 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 57' ' ' SER . 34.4 tp -102.15 -49.14 4.0 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.727 0.639 . . . . 71.35 112.727 -165.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.68 -108.9 3.61 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.201 -1.159 . . . . 63.54 110.201 -170.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -128.54 126.45 40.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.83 0.347 . . . . 53.12 110.604 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.702 ' HB2' HD21 ' A' ' 54' ' ' LEU . 54.9 m -149.81 170.33 19.02 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.629 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.538 HG21 HD22 ' A' ' 39' ' ' LEU . 5.8 mm -112.21 141.78 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.441 -0.577 . . . . 75.52 109.441 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.63 ' HB ' HD13 ' A' ' 49' ' ' ILE . 14.8 t -126.74 156.99 40.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 110.098 -0.334 . . . . 74.31 110.098 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.2 m -141.61 173.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.401 -0.592 . . . . 65.41 109.401 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.33 138.31 32.98 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.669 -0.493 . . . . 75.24 109.669 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 30.5 tt0 -58.14 -47.21 99.25 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.502 0.556 . . . . 75.33 112.502 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 62' ' ' GLU . 31.9 Cg_exo -61.88 -14.04 34.43 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.1 1.867 . . . . 72.31 112.841 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.21 3.5 25.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.813 0.34 . . . . 73.35 110.795 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -62.5 -30.71 71.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.235 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -62.6 -28.66 70.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 64.41 110.977 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.98 62.19 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.489 -0.323 . . . . 65.05 110.264 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 72' ' ' ILE . . . -54.58 -41.81 70.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.925 -0.579 . . . . 73.01 110.61 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.75 -42.72 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.66 . . . . 73.53 110.944 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -61.27 -42.03 97.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 61.31 111.034 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -64.21 -48.34 76.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.62 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 68' ' ' ALA . 25.6 mm -71.35 -23.98 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.402 -174.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -61.41 -20.68 63.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.063 0.458 . . . . 74.12 110.615 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -72.47 -19.69 61.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 73.21 110.85 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -83.25 113.1 20.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.067 0.461 . . . . 64.44 110.603 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.414 -0.803 . . . . 74.23 110.485 -178.965 . . . . . . . . 0 0 . 1 stop_ save_